SCHEMBL1365781

SCHEMBL1365781

O=C(CCCCCCl)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
EPHX2 P34913 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
NOTUM Q6P988 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1364176 1.00 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL1364948 1.00 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL1366401 1.00 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL1363999 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL1366489 0.93 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL2926392 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL118235 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL4941879 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL20624816 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1
SCHEMBL28600680 0.91 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1EPHX2TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130046087-A1 Substituted Cyclodextrin Derivatives Useful As Intermediates For Producing Biologically Active Materials ARCARIOS BV (NL) 2013-02-21 US disclosed
EP-2550299-A2 Substituted cyclodextrin derivatives and process for their preparation Arcarios B.V. (NL) 2013-01-30 EP disclosed
CN-102834416-A Substituted cyclodextrin derivatives useful as intermediates for producing biologically active materials ARCARIOS BV 2012-12-19 CN disclosed
US-8067136-B2 Charge control agent, toner, image forming method, and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2011-11-29 US disclosed
WO-2011117317-A2 SUBSTITUTED CYCLODEXTRIN DERIVATIVES USEFUL AS INTERMEDIATES FOR PRODUCING BIOLOGICALLY ACTIVE MATERIALS ARCARIOS BV (NL) 2011-09-29 WO disclosed
US-7589156-B2 Polyhydroxyalkanoic acid having ester, carboxyl or sulfonic acid group, and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-09-15 US disclosed
US-20090202927-A1 Charge control agent, toner, image forming method, and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2009-08-13 US disclosed
US-7557176-B2 Polyhydroxyalkanoic acid having vinyl, ester, carboxyl or sulfonic acid group and producing method therefor CANON KABUSHIKI KAISHA (JP) 2009-07-07 US disclosed
US-7553922-B2 Polyhydroxyalkanoate having ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
EP-1758948-B1 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KK (JP) 2009-05-13 EP disclosed
WO-2005121204-A2 POLYHYDROXYALKANOIC ACID HAVING VINYL, ESTER, CARBOXYL OR SULFONIC ACID GROUP AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
WO-2005121904-A1 CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
WO-2005121207-A2 POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP, AND SULFONIC GROUP, AND METHOD OF PRODUCING THE SAME CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
WO-2005121205-A2 POLYHYDROXYALKANOATE HAVING ESTER GROUP, CABOXYL GROUP, AND SULFONIC GROUP, AND METHOD OF PRODUCING THE SAME CANON KABUSHIKI KAISHA (JP) 2005-12-22 WO disclosed
EP-0117474-B1 QUINOLONE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND ANTIBACTERIAL COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1986-10-29 EP disclosed
EP-0118854-B1 BACTERICIDAL AGENT CONTAINING QUINOLONE-CARBOXYLIC ACIDS BAYER AG (DE) 1986-07-23 EP disclosed
US-4563448-A PHYTOPATHOGENS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
US-4559342-A Quinolone acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-17 US disclosed
EP-0118854-A1 Bactericidal agent containing quinolone-carboxylic acids BAYER AG (DE) 1984-09-19 EP disclosed
EP-0117474-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP disclosed