SCHEMBL9664866

SCHEMBL9664866

CCCOc1ccc(-c2ccc(CCc3ccc(OC)cc3)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
FFAR1 O14842 1/20 0.45
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
C3AR1 Q16581 1/20 0.43
MCHR1 Q99705 1/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APP P05067 3/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
MGAM O43451 4/20 0.41
GAA P10253 4/20 0.41
SI P14410 4/20 0.41
MGAM2 Q2M2H8 4/20 0.41
RARB P10826 1/20 0.41

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
SCHEMBL9662925 0.92 S1PR1 (0.46) MAOBFFAR1S1PR1S1PR3C3AR1
SCHEMBL9664295 0.89 MAOB (0.49) MAOBFFAR1S1PR1S1PR3L3MBTL1
SCHEMBL9664790 0.89 MAOB (0.49) MAOBFFAR1S1PR1S1PR3L3MBTL1
SCHEMBL9664887 0.88 RARB (0.54) S1PR1S1PR3C3AR1LMNAL3MBTL1
SCHEMBL9664946 0.86 RARB (0.51) MAOBFFAR1S1PR1S1PR3LMNA
SCHEMBL9665258 0.86 RARB (0.51) MAOBFFAR1S1PR1S1PR3LMNA
SCHEMBL9662845 0.86 MAOB (0.49) MAOBFFAR1L3MBTL1APPHTT
SCHEMBL21321935 0.86 APP (0.48) MAOBFFAR1S1PR1S1PR3APP
SCHEMBL9663445 0.85 RARB (0.56) MAOBS1PR1S1PR3L3MBTL1APP
SCHEMBL9664419 0.85 RARB (0.56) MAOBS1PR1S1PR3L3MBTL1APP

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