SCHEMBL2333294

SCHEMBL2333294

CCOC(=O)N(c1ccc(Cl)cc1Cl)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
PPARD Q03181 10/20 0.41
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
DGAT1 O75907 2/20 0.35
SOAT1 P35610 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
P2RX7 Q99572 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2337997 0.93 ALDH1A1 (0.43) LPAR1LPAR2LPAR3PPARDALDH1A1
SCHEMBL2337495 0.91 LPAR1 (0.40) LPAR1LPAR2LPAR3PPARDALDH1A1
SCHEMBL2338262 0.89 LPAR1 (0.50) LPAR1LPAR2LPAR3PPARDDGAT1
SCHEMBL1247301 0.85 PPARD (0.41) PPARDALDH1A1MAPT
SCHEMBL3704161 0.85 LPAR1 (0.47) LPAR1LPAR2LPAR3PPARDALDH1A1
SCHEMBL3714465 0.85 LPAR1 (0.45) LPAR1LPAR2LPAR3PPARDDGAT1
SCHEMBL2334787 0.85 LPAR1 (0.49) LPAR1LPAR2LPAR3PPARDALDH1A1
SCHEMBL3702333 0.84 LPAR1 (0.44) LPAR1LPAR2LPAR3PPARDALDH1A1
SCHEMBL2334207 0.84 ALDH1A1 (0.42) LPAR1LPAR2LPAR3ALDH1A1SMN1; SMN2
SCHEMBL3700609 0.84 LPAR1 (0.46) LPAR1LPAR2LPAR3PPARDALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed