SCHEMBL9512352

SCHEMBL9512352

CCCc1ccc(-c2ccc(C#Cc3ccc(C)cc3)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.41
ACACB O00763 4/20 0.36
FFAR4 Q5NUL3 4/20 0.34
CHRM2 P08172 1/20 0.34
S1PR1 P21453 1/20 0.34
FPR1 P21462 1/20 0.34
FPR3 P25089 1/20 0.34
GPR183 P32249 1/20 0.34
APLNR P35414 1/20 0.34
GPR65 Q8IYL9 1/20 0.34
MPL P40238 1/20 0.33

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
SCHEMBL9512412 1.00 FFAR1 (0.41) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL9508906 0.94 FFAR1 (0.39) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL9512324 0.92 FFAR1 (0.40) FFAR1MPL
SCHEMBL9511284 0.92 FFAR1 (0.40) FFAR1MPL
SCHEMBL9508912 0.91 TSHR (0.45) FFAR1MPL
SCHEMBL9512364 0.91 TSHR (0.45) FFAR1MPL
SCHEMBL9512281 0.90 FFAR1 (0.42) FFAR1ACACBMPL
SCHEMBL9509318 0.90 FFAR1 (0.36) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL9512399 0.90 FFAR1 (0.36) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL10519630 0.90 TSHR (0.40) FFAR1MPL

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
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed