SCHEMBL533764

SCHEMBL533764

O=C(c1ccccc1)c1c(O)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
CNR2 P34972 2/20 0.46
CNR1 P21554 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
THRB P10828 1/20 0.43
SRD5A2 P31213 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
SCHEMBL1042856 0.87 ALDH1A1 (0.59) ALDH1A1ATMTDP1L3MBTL1GAA
SCHEMBL78116 0.85 ALDH1A1 (0.62) ALDH1A1CA12CA1CA2CA7
SCHEMBL330729 0.81 CA12 (0.70) ALDH1A1CA12CA1CA2CA7
SCHEMBL27746569 0.81 DPP4 (0.52) ALDH1A1CA12CA1CA2CA7
SCHEMBL4284291 0.79 KMT2A (0.62) ALDH1A1CA12CA1CA2CA7
SCHEMBL5741534 0.78 MAPT (0.55) ALDH1A1ATMTDP1L3MBTL1GAA
SCHEMBL5151524 0.78 ALDH1A1 (0.61) ALDH1A1ATMTDP1L3MBTL1GAA
SCHEMBL11210134 0.78 MEN1 (0.50) ALDH1A1ATMTDP1L3MBTL1GAA
SCHEMBL8935427 0.78 ALDH1A1 (0.65) ALDH1A1CA12CA1CA2CA7
SCHEMBL27566201 0.78 AKR1C3 (0.57) ALDH1A1CA12CA1CA2CA7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1231459-C Novel aminobenzophenones LEO PHARM PROD LTD (DK) 2005-12-14 CN claimed
CN-1368950-A Novel aminobenzophenones LEO PHARM PROD LTD (DK) 2002-09-11 CN claimed
EP-2415455-A1 Conditioning composition for hair KPSS-Kao Professional Salon Services GmbH (DE) 2012-02-08 EP disclosed
CN-1231459-C Novel aminobenzophenones LEO PHARM PROD LTD (DK) 2005-12-14 CN disclosed
CN-1368950-A Novel aminobenzophenones LEO PHARM PROD LTD (DK) 2002-09-11 CN disclosed
US-5296601-A Reaction of aromatic chloride with carbon monoxide and alcohol NIHON NOHYAKU CO., LTD. (JP) 1994-03-22 US disclosed
EP-0282266-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID AMIDES OR ESTERS NIHON NOHYAKU CO., LTD. (JP) 1992-09-09 EP disclosed
US-5142057-A Reacting an organic chloride with carbon monoxide and amine NIHON NOHYAKU CO., LTD. (JP) 1992-08-25 US disclosed
EP-0282266-A2 Process for producing carboxylic acid amides or esters NIHON NOHYAKU CO., LTD. (JP) 1988-09-14 EP disclosed