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SCHEMBL8825960

SCHEMBL8825960

CCCCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1[C@H](C(=O)O)[C@H](C(=O)N(CCCCC)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 2/20 0.48
▸ LPAR5 Q9H1C0 2/20 0.48
▸ CNR2 P34972 1/20 0.46

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
SCHEMBL8497681 1.00 LPAR1 (0.48) LPAR1LPAR5CNR2
SCHEMBL8825964 1.00 LPAR1 (0.48) LPAR1LPAR5CNR2
SCHEMBL8497678 1.00 LPAR1 (0.48) LPAR1LPAR5CNR2
SCHEMBL8826265 0.96 LPAR1 (0.52) LPAR1LPAR5
SCHEMBL8498165 0.96 LPAR1 (0.52) LPAR1LPAR5
SCHEMBL8826269 0.96 LPAR1 (0.52) LPAR1LPAR5
SCHEMBL8498170 0.96 LPAR1 (0.52) LPAR1LPAR5
SCHEMBL8493183 0.91 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL8825925 0.91 LPAR1 (0.51) LPAR1LPAR5
SCHEMBL8493909 0.91 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 — — US disclosed
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 — — WO disclosed
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