SCHEMBL9313677

SCHEMBL9313677

O=CC1CCC(CCC2CCC(c3ccc(Cl)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.36
PTGIR P43119 3/20 0.34
PTGDR Q13258 1/20 0.34
ESR2 Q92731 1/20 0.34
DGAT1 O75907 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2C9 P11712 1/20 0.33
PANK3 Q9H999 1/20 0.32

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
SCHEMBL8517594 1.00 OPRL1 (0.36) OPRL1PTGIRPTGDRESR2DGAT1
SCHEMBL8972154 0.92 SLC6A2 (0.35) PTGIRPTGDRESR2HSD11B1PANK3
SCHEMBL9311759 0.92 SLC6A2 (0.35) PTGIRPTGDRESR2HSD11B1PANK3
SCHEMBL8517272 0.87 SLC6A2 (0.40) ESR2DGAT1CYP2C9
SCHEMBL9312527 0.87 SLC6A2 (0.40) ESR2DGAT1CYP2C9
SCHEMBL8517432 0.87 USP30 (0.39) OPRL1ESR2DGAT1CYP2C9
SCHEMBL9312459 0.87 USP30 (0.39) OPRL1ESR2DGAT1CYP2C9
SCHEMBL8518707 0.86 OPRL1 (0.36) OPRL1ESR2HSD11B1
SCHEMBL8518711 0.86 OPRL1 (0.36) OPRL1ESR2HSD11B1
SCHEMBL8518709 0.86 OPRL1 (0.36) OPRL1ESR2HSD11B1

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-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed