SCHEMBL2636833

SCHEMBL2636833

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)OC(C)C)CC4)cc3)cc2)c1NC(=O)OCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.62
ABCC3 O15438 1/20 0.62
ABCC4 O15439 1/20 0.62
ABCB11 O95342 1/20 0.62
CYP2C8 P10632 1/20 0.62
CYP2C9 P11712 1/20 0.62
ABCB4 P21439 1/20 0.62
ABCC2 Q92887 1/20 0.62
SLCO1B3 Q9NPD5 1/20 0.62
SLCO1B1 Q9Y6L6 1/20 0.62
LPAR3 Q9UBY5 5/20 0.49
LPAR2 Q9HBW0 2/20 0.48
ROCK2 O75116 1/20 0.39
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HRH1 P35367 1/20 0.37
KCNA3 P22001 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL7596 0.91 LPAR1 (0.57) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6695 0.90 LPAR1 (0.67) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635814 0.89 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635988 0.88 LPAR1 (0.53) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636704 0.88 LPAR1 (0.64) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635823 0.87 LPAR1 (0.63) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761374 0.87 LPAR1 (0.52) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761361 0.85 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636022 0.84 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1325790 0.84 LPAR1 (0.86) LPAR1ABCC3ABCC4ABCB11CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648726-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF Amira Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
WO-2012078805-A1 POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO disclosed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed