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Sugi Predict / Compounds / SCHEMBL9092894

SCHEMBL9092894

SCHEMBL9092894

CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@H](C(=O)O)[C@@H](C(=O)OCC(=O)N(CC)CC)[C@H]1C(=O)N(CCC)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LPAR1 Q92633 1/20 0.42
▸ LPAR5 Q9H1C0 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
SCHEMBL9092993 1.00 TRPM8 (0.43) TRPM8ALDH1A1LPAR1LPAR5
SCHEMBL9094572 0.92 TRPM8 (0.43) TRPM8ALDH1A1LPAR1LPAR5
SCHEMBL9094949 0.91 LPAR1 (0.45) LPAR1LPAR5
SCHEMBL9094945 0.91 LPAR1 (0.45) LPAR1LPAR5
SCHEMBL9096283 0.88 LPAR1 (0.44) LPAR1LPAR5
SCHEMBL9095468 0.88 LPAR1 (0.44) LPAR1LPAR5
SCHEMBL8493183 0.87 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL8494932 0.87 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL4959382 0.87 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL4959388 0.87 LPAR1 (0.51) 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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