SCHEMBL6986510

SCHEMBL6986510

COc1ccc([C](CCc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.67
NPC1 O15118 2/20 0.67
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
GPR52 Q9Y2T5 1/20 0.50
ALOX5 P09917 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49

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
SCHEMBL7361527 0.81 NPC1 (0.73) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL631022 0.81 LTA4H (0.57) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL1304210 0.80 NPC1 (1.00) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL6983635 0.78 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1L3MBTL1KDM4E
SCHEMBL6985463 0.78 L3MBTL1 (0.56) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL9595063 0.78 PLAU (0.58) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL28267555 0.77 TDP1 (0.69) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL24800806 0.75 F2RL1 (0.74) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL248073 0.75 NPC1 (0.73) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL11729686 0.75 RAB9A (0.55) RAB9ANPC1MAPTALDH1A1L3MBTL1

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
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO disclosed