SCHEMBL30197488

SCHEMBL30197488

Cc1noc(C23CCC(c4ccc(CC(=O)O)cc4)(CC2)OC3)c1NC(=O)O[C@H](C)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.64
LPAR3 Q9UBY5 5/20 0.64
LPAR2 Q9HBW0 2/20 0.64
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
ABCB4 P21439 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42

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
SCHEMBL23917618 1.00 LPAR1 (0.64) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL23907345 0.90 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL23907346 0.90 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL23917617 0.84 LPAR1 (0.45) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL23907370 0.84 LPAR1 (0.53) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL23907368 0.84 LPAR1 (0.53) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL21806657 0.82 LPAR1 (0.42) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL16556435 0.80 LPAR1 (0.58) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL23917613 0.79 LPAR1 (0.66) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL30197491 0.79 LPAR1 (0.66) LPAR1LPAR3LPAR2ABCC3ABCC4

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
EP-3853232-B1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-01 EP claimed
EP-3853232-B1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-01 EP disclosed