SCHEMBL6652583

SCHEMBL6652583

CCCCCC(C)(C)C1CCC(S)CC1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30

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
SCHEMBL5171549 0.81 CYP1A2 (0.43) CYP1A2
SCHEMBL4195481 0.80 CNR2 (0.38) CYP1A2
SCHEMBL1128180 0.78 CYP1A2 (0.45) CYP1A2
SCHEMBL21064155 0.78 GNAO1 (0.43)
SCHEMBL24918924 0.76 KDM4E (0.35)
SCHEMBL26060490 0.76 GNAO1 (0.46)
SCHEMBL18673262 0.76 GNAO1 (0.46)
SCHEMBL22570040 0.76 SPHK1 (0.42)
SCHEMBL22985981 0.74 EPHX1 (0.38)
SCHEMBL23745633 0.73 GNAI3 (0.36) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146038-B1 Novel antioxidant and method of producing the same KUMHO MONSANTO INC (KR) 2004-06-16 EP disclosed
EP-1146038-A1 Novel antioxidant and method of producing the same Kumho Monsanto, Inc. (KR) 2001-10-17 EP disclosed