SCHEMBL9664301

SCHEMBL9664301

CCCOc1ccc(-c2ccc(CCc3ccc(CCC)cc3)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.47
RARA P10276 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 1/20 0.41
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
ACACB O00763 2/20 0.40
ACACA Q13085 1/20 0.40
C3AR1 Q16581 1/20 0.39
RARG P13631 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL9664442 0.92 MAOB (0.48) RARBRARAL3MBTL1LMNASMN1; SMN2
SCHEMBL9664954 0.88 RARB (0.47) RARBRARASMN1; SMN2MAPTRARG
SCHEMBL9664333 0.86 MAOB (0.53) RARBRARARARGMAOB
SCHEMBL9663272 0.84 RARB (0.43) RARBRARAL3MBTL1SMN1; SMN2MAPT
SCHEMBL11996454 0.84 RARB (0.43) RARBRARAL3MBTL1SMN1; SMN2MAPT
SCHEMBL9399833 0.83 RARB (0.48) RARBRARASMN1; SMN2MAPTRARG
SCHEMBL16377225 0.83 RARB (0.48) RARBRARASMN1; SMN2MAPTRARG
SCHEMBL13461027 0.83 L3MBTL1 (0.59) L3MBTL1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL9664336 0.82 ALOX5 (0.41) RARBRARASMN1; SMN2MAPTRARG
SCHEMBL14525750 0.81 MAOB (0.45) RARBRARAALDH1A1SMN1; SMN2RARG

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-5093026-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-03-03 US disclosed