SCHEMBL20004756

SCHEMBL20004756

CCCCOc1ccc(CCc2ccc(-c3ccc(C#Cc4c(F)cc(OCCC)cc4CC)cc3)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.43
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
FFAR1 O14842 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 1/20 0.35
HTR2A P28223 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
SCHEMBL19999430 0.92 ACACB (0.40) ACACBRARARARBS1PR1S1PR3
SCHEMBL19999491 0.84 ACACB (0.47) ACACBRARARARBLMNAL3MBTL1
SCHEMBL20004683 0.81 ACACB (0.39) ACACBRARBS1PR1S1PR3FFAR1
SCHEMBL8755783 0.80 ACACB (0.42) ACACBRARARARBMAOB
SCHEMBL20004768 0.79 RARB (0.45) ACACBRARARARBFFAR1HTR2A
SCHEMBL19999364 0.79 ACACB (0.43) ACACBRARARARB
SCHEMBL20004614 0.79 RARB (0.41) ACACBRARARARBS1PR1S1PR3
SCHEMBL9398870 0.78 CYP3A4 (0.43) S1PR1S1PR3FFAR1LMNAHTR2A
SCHEMBL14766929 0.78 S1PR1 (0.47) ACACBRARARARBS1PR1S1PR3
SCHEMBL20004573 0.78 MCHR1 (0.39) ACACBRARARARBS1PR1S1PR3

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-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed