SCHEMBL6073032

SCHEMBL6073032

C#CC(I)OC(=O)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.40
TSHR P16473 6/20 0.38
HPGD P15428 2/20 0.38
HCAR2 Q8TDS4 1/20 0.36
NAAA Q02083 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 4/20 0.35
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
EPHX1 P07099 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ELANE P08246 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL11312836 0.82 ALDH1A1 (0.46) ALDH1A1TSHRLMNA
SCHEMBL6890550 0.78 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL9845862 0.77 SMN1; SMN2 (0.38) ALDH1A1HPGDL3MBTL1EPHX1MAPK1
SCHEMBL7803749 0.77 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL452059 0.74 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL14891234 0.74 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6006780 0.73 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6892779 0.73 NAAA (0.47) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL37837 0.72 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6008419 0.72 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2

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
WO-1995016354-A1 METHOD OF COMBATING TERMITES AND OTHER WOOD DESTRUCTIVE INSECTS CIBA-GEIGY AG (CH) 1995-06-22 WO claimed
CN-107714550-A A kind of preparation method of antibacterial wet tissue 常州凯恒纺织品有限公司 2018-02-23 CN disclosed
WO-2006023409-A1 SOLID POLYMERIC DISPERSANT COMPOSITION FOR WATER-INSOLUBLE ACTIVES ISP INVESTMENTS INC. (US) 2006-03-02 WO disclosed
EP-0957684-B1 MICROEMULSION AND METHOD TROY TECHNOLOGY CORP INC (US) 2004-03-17 EP disclosed
WO-2004010781-A1 AQUEOUS SUSPENSION AGENT FOR WATER INSOLUBLE COMPOUNDS ISP INVESTMENTS, INC. (US) 2004-02-05 WO disclosed
EP-0957684-A1 MICROEMULSION AND METHOD Troy Technology Corporation, Inc. (US) 1999-11-24 EP disclosed
US-5827522-A Microemulsion and method TROY CORPORATION (US) 1998-10-27 US disclosed
WO-1998018321-A1 MICROEMULSION AND METHOD TROY TECHNOLOGY CORPORATION, INC. (US) 1998-05-07 WO disclosed
WO-1995016354-A1 METHOD OF COMBATING TERMITES AND OTHER WOOD DESTRUCTIVE INSECTS CIBA-GEIGY AG (CH) 1995-06-22 WO disclosed