SCHEMBL8575144

SCHEMBL8575144

COc1ccc2c(c1)C(=O)N(CCO)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 2/20 0.41
ROCK2 O75116 2/20 0.41
APAF1 O14727 1/20 0.39
KLK7 P49862 1/20 0.38
ROCK1 Q13464 1/20 0.38
ADAM17 P78536 1/20 0.37
MPO P05164 1/20 0.37
POLB P06746 1/20 0.37
PPIB P23284 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL8576909 0.90 ROCK2 (0.44) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL9174068 0.82 MEN1 (0.43) MAPTRAB9AALDH1A1KDM4ECYP19A1
SCHEMBL9304354 0.82 ALDH1A1 (0.43) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL8636633 0.81 MAPT (0.41) MAPTRAB9AALDH1A1KDM4EAR
SCHEMBL8980607 0.80 PARP1 (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8368757 0.80 KDM4E (0.35) KDM4E
SCHEMBL8573189 0.80 MAOB (0.40) MAPTALDH1A1HPGDTDP1CYP19A1
SCHEMBL8640110 0.80 ALDH1A1 (0.40) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL8980601 0.80 APP (0.39) ALDH1A1CYP19A1
SCHEMBL8980606 0.80 FABP6 (0.41) NPC1RAB9AALDH1A1KDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710152-A ANTIDIABETIC, ANTILIPEMIC, AND HYPOGLYCEMIC AGENTS; DIETETICS SS PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed