SCHEMBL9093002

SCHEMBL9093002

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)C1C(C(=O)OC(C(=O)O)C2CCC2)C(C(=O)OC(C(=O)O)C2CCC2)C1C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 3/20 0.41
▸ LPAR5 Q9H1C0 3/20 0.41
▸ PTGES O14684 1/20 0.38
▸ CCR1 P32246 1/20 0.38

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
SCHEMBL9095979 0.98 LPAR1 (0.41) LPAR1LPAR5PTGESCCR1
SCHEMBL9094877 0.97 LPAR1 (0.39) LPAR1LPAR5
SCHEMBL9094047 0.97 LPAR1 (0.39) LPAR1LPAR5
SCHEMBL9092949 0.97 LPAR1 (0.40) LPAR1LPAR5CCR1
SCHEMBL9094116 0.97 LPAR1 (0.40) LPAR1LPAR5CCR1
SCHEMBL9094041 0.96 LPAR1 (0.42) LPAR1LPAR5
SCHEMBL9094261 0.96 LPAR1 (0.42) LPAR1LPAR5
SCHEMBL9093986 0.95 LPAR1 (0.39) LPAR1LPAR5
SCHEMBL9096364 0.95 LPAR1 (0.39) LPAR1LPAR5
SCHEMBL9094345 0.95 LPAR1 (0.38) 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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