SCHEMBL9509028

SCHEMBL9509028

CCCc1ccc(-c2ccc(C#Cc3ccc(OCC)cc3)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.45
RARB P10826 1/20 0.40
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9509387 0.93 RARB (0.46) ACACBRARBS1PR1S1PR3FFAR1
SCHEMBL9512446 0.91 RARB (0.51) ACACBRARBS1PR1S1PR3FFAR1
SCHEMBL9508758 0.91 ACACB (0.48) ACACBRARBS1PR1S1PR3MAPT
SCHEMBL9512375 0.91 S1PR1 (0.48) ACACBRARBS1PR1S1PR3FFAR1
SCHEMBL9511505 0.90 RARB (0.53) ACACBRARBS1PR1S1PR3FFAR1
SCHEMBL9510170 0.90 RARB (0.53) ACACBRARBS1PR1S1PR3FFAR1
SCHEMBL9511326 0.90 MAOB (0.43) RARBS1PR1S1PR3FFAR1
SCHEMBL9512486 0.90 ACACB (0.41) ACACBFFAR1FFAR4
SCHEMBL9509310 0.89 RARB (0.48) ACACBRARBS1PR1S1PR3L3MBTL1
SCHEMBL17614861 0.87 RARB (0.43) RARBS1PR1S1PR3FFAR1FFAR4

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