SCHEMBL2335503

SCHEMBL2335503

CCOC(=O)N(c1cc(Br)cc(Br)c1)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.44
LPAR2 Q9HBW0 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
DGAT1 O75907 5/20 0.33
ENPP2 Q13822 2/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL2337280 0.92 ALDH1A1 (0.36) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL2338529 0.92 LPAR1 (0.44) LPAR1LPAR2LPAR3RXRARXRB
SCHEMBL1286656 0.88 LPAR1 (0.48) LPAR1LPAR2LPAR3RXRARXRB
SCHEMBL9998264 0.87 LPAR1 (0.48) LPAR1LPAR2LPAR3RXRARXRB
SCHEMBL2341767 0.85 LPAR1 (0.44) LPAR1LPAR2LPAR3RXRARXRB
SCHEMBL3702406 0.84 ALDH1A1 (0.36) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL2636202 0.83 LPAR1 (0.45) LPAR1KDM4EALDH1A1POLBPKM
SCHEMBL2635999 0.82 ABCC3 (0.39) LPAR1ABCC4
SCHEMBL2333488 0.82 HDAC1 (0.43) LPAR1LPAR2LPAR3RXRARXRB
SCHEMBL3714448 0.82 LPAR1 (0.41) LPAR1LPAR2LPAR3ENPP2PTPN11

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 3 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 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