SCHEMBL1247097

SCHEMBL1247097

CCOC(=O)N(c1ccccc1Cl)c1c(-c2ccc(-c3ccc(C(=O)O)cn3)cc2)noc1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 12/20 0.44
LDHA P00338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
TP53 P04637 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1247564 0.90 MAPT (0.42) GABRA5L3MBTL1MAPTALDH1A1POLB
SCHEMBL1247748 0.88 SCN9A (0.39) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1246422 0.87 KMO (0.41) GABRA5MAPTALDH1A1POLBHPGD
SCHEMBL3711161 0.86 LDHA (0.41) GABRA5LDHAMAPTALDH1A1HPGD
SCHEMBL1245320 0.84 NR1H4 (0.45) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1246290 0.84 SCN9A (0.40) GABRA5MAPTALDH1A1POLBHPGD
SCHEMBL1247806 0.84 GPBAR1 (0.43) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1247222 0.82 ALDH1A1 (0.36) GABRA5L3MBTL1MAPTALDH1A1POLB
SCHEMBL1247124 0.82 NR1H4 (0.43) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1246239 0.81 MAPT (0.39) MAPTALDH1A1POLBHPGDNPC1

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-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed