SCHEMBL12973712

SCHEMBL12973712

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OC4(C)CCCC4)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 4/20 0.53
▸ ABCC3 O15438 1/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ CYP2C8 P10632 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ABCB4 P21439 1/20 0.53
▸ ABCC2 Q92887 1/20 0.53
▸ SLCO1B3 Q9NPD5 1/20 0.53
▸ SLCO1B1 Q9Y6L6 1/20 0.53
▸ LPAR3 Q9UBY5 2/20 0.40
▸ LPAR2 Q9HBW0 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ OPRM1 P35372 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 2/20 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
SCHEMBL2761309 0.89 LPAR1 (0.59) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12973639 0.89 LPAR1 (0.66) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761310 0.88 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4163 0.85 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL9939470 0.84 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761218 0.84 LPAR1 (0.52) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12973579 0.84 LPAR1 (0.66) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL5213 0.84 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2781710 0.83 LPAR1 (0.62) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2781714 0.83 LPAR1 (0.62) 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 1 patent. 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
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