SCHEMBL9664442

SCHEMBL9664442

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
MCHR1 Q99705 1/20 0.46
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
APP P05067 4/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ERN1 O75460 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL9664301 0.92 RARB (0.47) MAOBRARARARBLMNAL3MBTL1
SCHEMBL9664333 0.89 MAOB (0.53) MAOBRARARARBTAAR1
SCHEMBL9662872 0.86 MAOB (0.53) MAOBMCHR1L3MBTL1HTTTAAR1
SCHEMBL9664339 0.85 RARB (0.53) MAOBRARARARBL3MBTL1TAAR1
SCHEMBL9664957 0.84 RARB (0.55) MAOBRARARARBLMNATSHR
SCHEMBL9664866 0.82 MAOB (0.45) MAOBMCHR1RARBLMNAL3MBTL1
SCHEMBL9664954 0.80 RARB (0.47) MAOBRARARARBSMN1; SMN2TAAR1
SCHEMBL7858113 0.80 CYP17A1 (0.46)
SCHEMBL14766929 0.79 S1PR1 (0.47) MAOBRARARARBLMNAL3MBTL1
SCHEMBL8990702 0.78 PTPN7 (0.54) MAOBLMNAL3MBTL1TSHRSMN1; SMN2

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 2 patents. 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
WO-1990008756-A1 DIPHENYLETHANES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-09 WO disclosed