SCHEMBL2781710

SCHEMBL2781710

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)O[C@H](C)C(C)C)cc3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

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 4/20 0.48
LPAR2 Q9HBW0 2/20 0.45
OPRM1 P35372 2/20 0.37
HRH1 P35367 1/20 0.36

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
SCHEMBL2781714 1.00 LPAR1 (0.62) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2780042 0.91 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2780039 0.91 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12973579 0.90 LPAR1 (0.66) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761309 0.89 LPAR1 (0.59) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL341443 0.89 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL341444 0.89 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2781195 0.89 LPAR1 (0.78) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2781200 0.89 LPAR1 (0.78) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761310 0.88 LPAR1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed