SCHEMBL19999528

SCHEMBL19999528

CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(C#Cc5c(F)cc(C)cc5CC)cc4)c(F)c3)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.38
FFAR1 O14842 8/20 0.35
ACACB O00763 2/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
FFAR4 Q5NUL3 3/20 0.32
KDM1A O60341 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL19999526 0.89 RARB (0.45) RARBFFAR1AKR1C3AKR1C2
SCHEMBL20006828 0.88 RARB (0.39) RARBFFAR1ACACBFFAR4KDM1A
SCHEMBL19999429 0.87 RARB (0.43) RARBFFAR1
SCHEMBL20004683 0.85 ACACB (0.39) RARBFFAR1ACACBFFAR4KDM1A
SCHEMBL14846044 0.81 FFAR1 (0.41) RARBFFAR1ACACBFFAR4
SCHEMBL20006716 0.80 FFAR1 (0.33) RARBFFAR1ACACBALOX5
SCHEMBL20005184 0.79 FFAR1 (0.43) FFAR1ACACBFFAR4
SCHEMBL13211613 0.79 RARB (0.51) RARBACACB
SCHEMBL8988787 0.78 RARB (0.41) RARBFFAR1ACACBFFAR4KDM1A
SCHEMBL8755432 0.78 RARB (0.38) RARBFFAR4KDM1A

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-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed