SCHEMBL3707597

SCHEMBL3707597

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(-c2cncc(CC(=O)O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.46
LPAR2 Q9HBW0 2/20 0.46
LPAR3 Q9UBY5 2/20 0.46
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PPARD Q03181 9/20 0.34
FFAR1 O14842 1/20 0.33
NR1H4 Q96RI1 2/20 0.32
SHMT1 P34896 1/20 0.32
ACR P10323 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL3705512 0.94 LPAR1 (0.39) LPAR1LPAR2LPAR3CYP11B1CYP11B2
SCHEMBL2338262 0.90 LPAR1 (0.50) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL2335497 0.90 LPAR1 (0.45) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL3712570 0.88 CYP2C9 (0.36) LPAR1LPAR2LPAR3NR1H4
SCHEMBL3704161 0.87 LPAR1 (0.47) LPAR1LPAR2LPAR3PPARDNR1H4
SCHEMBL3714488 0.87 L3MBTL1 (0.34) LPAR1LPAR2LPAR3CYP11B1CYP11B2
SCHEMBL1246951 0.87 CYP11B1 (0.40) LPAR1LPAR2LPAR3CYP11B1CYP11B2
SCHEMBL3714465 0.86 LPAR1 (0.45) LPAR1LPAR2LPAR3PPARDFFAR1
SCHEMBL3702333 0.86 LPAR1 (0.44) LPAR1LPAR2LPAR3PPARDFFAR1
SCHEMBL3700609 0.85 LPAR1 (0.46) LPAR1LPAR2LPAR3PPARDNR1H4

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
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed