SCHEMBL11268465

SCHEMBL11268465

CCCCc1ccc(CCCC2(Cn3ccnc3)SCCS2)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.43
CYP19A1 P11511 1/20 0.42
PLA2G4A P47712 1/20 0.42

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
SCHEMBL11258417 0.95 HMOX1 (0.46) HMOX1
SCHEMBL11257927 0.93 HMOX1 (0.43) HMOX1CYP19A1
SCHEMBL11257198 0.90 CYP19A1 (0.42) HMOX1CYP19A1PLA2G4A
SCHEMBL11257742 0.90 CYP19A1 (0.49) HMOX1CYP19A1
SCHEMBL11272917 0.88 HMOX1 (0.51) HMOX1CYP19A1
SCHEMBL11253361 0.88 CYP1A2 (0.47) HMOX1CYP19A1
SCHEMBL11261224 0.88 KDM4E (0.49) HMOX1PLA2G4A
SCHEMBL11261172 0.88 HMOX1 (0.40) HMOX1
SCHEMBL11254606 0.87 CYP3A4 (0.50) CYP19A1
SCHEMBL11256189 0.87 LMNA (0.44) HMOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed