SCHEMBL8497073

SCHEMBL8497073

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

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 4/20 0.51
▸ LPAR5 Q9H1C0 4/20 0.51
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL8497079 1.00 LPAR1 (0.51) LPAR1LPAR5HDAC1HDAC6
SCHEMBL8826200 1.00 LPAR1 (0.51) LPAR1LPAR5HDAC1HDAC6
SCHEMBL8826205 1.00 LPAR1 (0.51) LPAR1LPAR5HDAC1HDAC6
SCHEMBL8498888 0.97 LPAR1 (0.48) LPAR1LPAR5
SCHEMBL8825979 0.97 LPAR1 (0.48) LPAR1LPAR5
SCHEMBL9263341 0.97 LPAR1 (0.48) LPAR1LPAR5
SCHEMBL8825976 0.97 LPAR1 (0.48) LPAR1LPAR5
SCHEMBL8494329 0.97 LPAR1 (0.48) LPAR1LPAR5
SCHEMBL8494325 0.97 LPAR1 (0.48) LPAR1LPAR5
SCHEMBL9114353 0.94 LPAR1 (0.47) LPAR1LPAR5HDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677039-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 1999-03-10 — — EP disclosed
WO-1996034850-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 — — WO disclosed
EP-0677039-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1995-10-18 — — EP disclosed
WO-1995012572-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1995-05-11 — — WO disclosed
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