SCHEMBL9243151

SCHEMBL9243151

C=CCC[C@H]1CC[C@H](C#Cc2ccc(-c3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
P2RY6 Q15077 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KDM1A O60341 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
SCHEMBL9243157 1.00 FFAR1 (0.33) FFAR1P2RY6CYP17A1CYP11B1CYP11B2
SCHEMBL9247413 0.93 FFAR1 (0.32) FFAR1
SCHEMBL9247420 0.93 FFAR1 (0.32) FFAR1
SCHEMBL9243929 0.90 FFAR1 (0.31) FFAR1
SCHEMBL9243923 0.90 FFAR1 (0.31) FFAR1
SCHEMBL9243765 0.88 FFAR1 (0.35) FFAR1P2RY6
SCHEMBL9247671 0.88 FFAR1 (0.35) FFAR1P2RY6
SCHEMBL9247424 0.86 GRM2 (0.36) CYP11B1CYP11B2KDM1A
SCHEMBL9247414 0.86 GRM2 (0.36) CYP11B1CYP11B2KDM1A
SCHEMBL9242955 0.85 KDM1A (0.32) KDM1A

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-5447657-A Liquid crystal compounds HOFFMANN-LA ROCHE INC. (US) 1995-09-05 US disclosed