SCHEMBL8988787

SCHEMBL8988787

CCCc1ccc(-c2ccc(C#Cc3ccc(F)cc3)cc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.41
FFAR1 O14842 2/20 0.41
GRM5 P41594 1/20 0.38
MAOB P27338 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CHKA P35790 1/20 0.36
HTR2A P28223 1/20 0.36
GRM2 Q14416 1/20 0.36
ALOX5 P09917 1/20 0.36
ACACB O00763 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FDFT1 P37268 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL14228880 0.89 GRM5 (0.41) RARBFFAR1GRM5CNR1CNR2
SCHEMBL13211613 0.89 RARB (0.51) RARBACACBHSD17B10FDFT1
SCHEMBL19845067 0.89 ESR1 (0.42) RARBFFAR1CNR1CNR2ALOX5
SCHEMBL29306100 0.89 TSHR (0.46) RARBHSD17B10KDM1A
SCHEMBL14525801 0.89 RARB (0.40) RARBFFAR1CNR1CNR2CHKA
SCHEMBL8378004 0.88 RARB (0.48) RARBMAOBCNR1CNR2CHKA
SCHEMBL9334037 0.87 CYP1A1 (0.41) RARBCNR1CNR2CHKAALOX5
SCHEMBL9335246 0.86 RARB (0.40) RARBFFAR1CNR1CNR2CHKA
SCHEMBL9399967 0.84 RARB (0.52) RARBCNR1CNR2CHKAALOX5
SCHEMBL14228619 0.84 RARB (0.39) RARBFFAR1CNR1CNR2CHKA

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
JP-8217706-A None JP disclosed
JP-H08217706-A 2-FLUOROBIPHENYL DERIVATIVE DAINIPPON INK & CHEM INC 1996-08-27 JP disclosed