SCHEMBL6933228

SCHEMBL6933228

OB(O)OC(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ACP3 P15309 2/20 0.38
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 6/20 0.36
CYP2A6 P11509 3/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
PGR P06401 1/20 0.35
PTGS1 P23219 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
Tetrabuthylammonium SCHEMBL6933407 0.83 CNR1 (0.36) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL18614729 0.78 CYP1A2 (0.43) CYP1A2ACP3ALDH1A1HSD17B10CYP2A6
SCHEMBL15067726 0.74 ALDH1A1 (0.40) CYP1A2ACP3ALDH1A1HSD17B10CYP2A6
SCHEMBL3389397 0.72 HSD17B10 (0.42) CYP1A2ACP3ALDH1A1HSD17B10CYP2A6
SCHEMBL431857 0.71 HSD17B10 (0.41) CYP1A2ACP3ALDH1A1HSD17B10CYP2A6
SCHEMBL1561798 0.70 CYP1A2 (0.48) CYP1A2ACP3ALDH1A1HSD17B10CYP2A6
SCHEMBL29503952 0.70 CYP1A2 (0.48) CYP1A2ACP3ALDH1A1HSD17B10CYP2A6
SCHEMBL11786019 0.70 CYP1A2 (0.48) CYP1A2ACP3ALDH1A1HSD17B10CYP2A6
SCHEMBL29167170 0.70 CYP1A2 (0.48) CYP1A2ACP3ALDH1A1HSD17B10CYP2A6
SCHEMBL25430622 0.70 ALDH1A1 (0.35) CYP1A2ACP3ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900800-B1 Stabilizer for organic borate salts and photosensitive composition containing the same SHOWA DENKO KK (JP) 2003-12-03 EP disclosed
US-6218076-B1 STABILIZER IS ORGANONITROGEN COMPOUND AND ORGANIC BORATE SALT; HEAT RESISTANCE SHOWA DENKO K.K. (JP) 2001-04-17 US disclosed
EP-0900800-A2 Stabilizer for organic borate salts and photosensitive composition containing the same SHOWA DENKO KABUSHIKI KAISHA (JP) 1999-03-10 EP disclosed