SCHEMBL8771988

SCHEMBL8771988

[O-][S+](c1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
CYP2C19 P33261 1/20 0.58
PTGS2 P35354 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HIF1A Q16665 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAOB P27338 4/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MAOA P21397 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
BCHE P06276 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL7110879 0.98 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL12254573 0.85 LMNA (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL11268378 0.84 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL9784496 0.82 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.82 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27367676 0.82 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8662450 0.80 F2 (0.45) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16200799 0.79 LTA4H (0.57) GAAMAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL10609652 0.78 LMNA (0.75) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL61660 0.77 LMNA (0.74) LMNACYP1A2PTGS1SLC6A2CYP2C19

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