SCHEMBL1247564

SCHEMBL1247564

CCOC(=O)N(c1ccccc1Cl)c1c(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)noc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
GPBAR1 Q8TDU6 3/20 0.41
GABRA5 P31644 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
SCN9A Q15858 1/20 0.39
PTGS2 P35354 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38

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
SCHEMBL1245320 0.92 NR1H4 (0.45) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1247097 0.90 GABRA5 (0.44) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1245358 0.89 NR1H4 (0.42) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1247222 0.88 ALDH1A1 (0.36) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1247124 0.88 NR1H4 (0.43) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1247806 0.88 GPBAR1 (0.43) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1246422 0.88 KMO (0.41) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1247211 0.87 FFAR4 (0.42) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1245152 0.87 NR1H4 (0.42) MAPTALDH1A1POLBHPGDGPBAR1
SCHEMBL1245116 0.87 PTGS2 (0.39) MAPTALDH1A1POLBHPGDGPBAR1

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