SCHEMBL6321237

SCHEMBL6321237

O=C(c1ccccc1)c1ccc(-c2ccccc2)c(C(=O)c2ccccc2)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP2C9 P11712 2/20 0.47
CYP2C8 P10632 1/20 0.47
AKR1C3 P42330 1/20 0.46
CDC25B P30305 1/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE4A P27815 1/20 0.42
ADORA1 P30542 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41

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
SCHEMBL27514569 0.87 ALDH1A1 (0.56) ALDH1A1CYP2C9CYP2C8AKR1C3CDC25B
SCHEMBL28375818 0.87 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C8AKR1C3CDC25B
SCHEMBL10626438 0.87 CYP2C8 (0.54) ALDH1A1CYP2C9CYP2C8AKR1C3CDC25B
SCHEMBL1666409 0.86 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP2C8AKR1C3CDC25B
SCHEMBL1666435 0.85 ALDH1A1 (0.58) ALDH1A1CYP2C9CYP2C8AKR1C3CDC25B
SCHEMBL1666496 0.81 ALDH1A1 (0.53) ALDH1A1CYP2C9CYP2C8AKR1C3CDC25B
SCHEMBL2333980 0.80 ALDH1A1 (0.56) ALDH1A1CYP2C9CYP2C8AKR1C3CDC25B
SCHEMBL30618783 0.80 ALDH1A1 (0.56) ALDH1A1CYP2C9CYP2C8AKR1C3CDC25B
SCHEMBL28279653 0.79 ALDH1A1 (0.51) ALDH1A1CYP2C9CYP2C8AKR1C3CDC25B
SCHEMBL934810 0.79 AKR1C3 (0.59) ALDH1A1AKR1C3CDC25BATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100408652-C Photoinitiators and oxygen scanvenging compositions CHEVRON CHEM CO (US) 2008-08-06 CN disclosed
US-6852894-B2 Tribenzoyl compounds CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2005-02-08 US disclosed
EP-0981590-B1 PHOTOINITIATORS AND OXYGEN SCAVENGING COMPOSITIONS CHEVRON PHILLIPS CHEMICAL CO (US) 2004-01-28 EP disclosed
US-20030062505-A1 Tribenzoyl compounds CHEVRON PHILLIPS CHEMICAL COMPANY LP 2003-04-03 US disclosed
US-6139770-A COMPRISES A TRIBENZOYL TRIPHENYLBENZENE OR SUBSTITUTED TRIBENZOYL TRIPHENYLBENZENE PHOTOINITIATOR AND A CATALALYST AS OXYGEN SCAVANGER CHEVRON CHEMICAL COMPANY LLC (US) 2000-10-31 US disclosed
CN-1256707-A Photoinitiator and oxygen scavenging composition CHEVRON CHEM CO (US) 2000-06-14 CN disclosed
EP-0981590-A1 PHOTOINITIATORS AND OXYGEN SCAVENGING COMPOSITIONS Chevron Chemical Company LLC (US) 2000-03-01 EP disclosed
WO-1998051758-A1 PHOTOINITIATORS AND OXYGEN SCAVENGING COMPOSITIONS CHEVRON CHEMICAL COMPANY LLC (US) 1998-11-19 WO disclosed