SCHEMBL8771928

SCHEMBL8771928

O=C(c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.59
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
NR4A1 P22736 1/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHRNA7 P36544 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CTRC Q99895 1/20 0.49
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
PTGS2 P35354 1/20 0.47
POLB P06746 1/20 0.46
BCL2L1 Q07817 1/20 0.46

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
SCHEMBL9475945 0.92 SRD5A2 (0.61) SRD5A2ALDH1A1HPGDNR4A1CES2
SCHEMBL8967091 0.92 SRD5A2 (0.61) SRD5A2ALDH1A1HPGDNR4A1CES2
SCHEMBL3282737 0.90 HPGD (0.69) SRD5A2ALDH1A1HPGDCES2CES1
SCHEMBL385623 0.88 ALDH1A1 (0.67) SRD5A2ALDH1A1HPGDCES2CES1
SCHEMBL21506865 0.88 ALDH1A1 (0.67) SRD5A2ALDH1A1HPGDCES2CES1
SCHEMBL1790602 0.87 ALDH1A1 (0.49) SRD5A2ALDH1A1HPGDNR4A1CES2
SCHEMBL6787662 0.86 ALDH1A1 (0.67) SRD5A2ALDH1A1HPGDCES2CES1
SCHEMBL17828242 0.86 ALDH1A1 (0.67) SRD5A2ALDH1A1HPGDCES2CES1
SCHEMBL17828245 0.86 ALDH1A1 (0.67) SRD5A2ALDH1A1HPGDCES2CES1
SCHEMBL8967798 0.85 MAPK1 (0.77) SRD5A2HPGDCES2CES1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629613-B1 Novel onium salt, photopolymerization initiator, energy ray-curing composition containing the initiator, and cured product NIPPON KAYAKU KK (JP) 1997-10-15 EP disclosed
US-5534557-A COATINGS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-07-09 US disclosed
US-5502083-A SULFONIUM CATALYST NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-03-26 US disclosed
EP-0629613-A2 Novel onium salt, photopolymerization initiator, energy ray-curing composition containing the initiator, and cured product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-21 EP disclosed