SCHEMBL9094043

SCHEMBL9094043

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=S)C1C(C(=O)O)C(C(=O)OCc2ccccc2)C1C(=S)N(CCC)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 2/20 0.44
▸ FABP5 Q01469 2/20 0.44
▸ LPAR1 Q92633 2/20 0.42
▸ LPAR5 Q9H1C0 2/20 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
SCHEMBL8497804 0.97 LPAR1 (0.44) FABP7FABP5LPAR1LPAR5
SCHEMBL8497805 0.97 LPAR1 (0.44) FABP7FABP5LPAR1LPAR5
SCHEMBL8496540 0.91 LPAR1 (0.49) LPAR1LPAR5
SCHEMBL8496537 0.91 LPAR1 (0.49) LPAR1LPAR5
SCHEMBL9094513 0.90 FABP7 (0.46) FABP7FABP5LPAR1LPAR5
SCHEMBL9094317 0.90 FABP7 (0.46) FABP7FABP5LPAR1LPAR5
SCHEMBL9096734 0.86 LPAR1 (0.46) FABP7FABP5LPAR1LPAR5
SCHEMBL8691033 0.85 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL9094732 0.85 FABP7 (0.43) FABP7FABP5LPAR1LPAR5
SCHEMBL8497898 0.84 ALOX5 (0.44) LPAR1LPAR5

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-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 — — WO disclosed
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