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SCHEMBL1045249

SCHEMBL1045249

CCC(CC)CC1(C#N)CCCCC1.CCC(CC)CC1(C(=O)O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 5/20 0.43
▸ CYP2C19 P33261 1/20 0.39
▸ MME P08473 2/20 0.31

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
SCHEMBL727220 0.86 CYP2C19 (0.50) CETPCYP2C19MME
SCHEMBL780900 0.84 CETP (0.34) CETP
SCHEMBL1045250 0.78 CETP (0.30) CETP
SCHEMBL18602061 0.76 CYP2C19 (0.44) CETPCYP2C19MME
SCHEMBL16908421 0.74 CYP2C19 (0.42) CETPCYP2C19MME
SCHEMBL810162 0.72 CETP (0.49) CETPCYP2C19MME
SCHEMBL781736 0.71 CETP (0.48) CETPCYP2C19MME
SCHEMBL1534074 0.71 CETP (0.48) CETPCYP2C19MME
SCHEMBL9971636 0.71 CETP (0.48) CETPCYP2C19MME
SCHEMBL9974581 0.71 CETP (0.48) CETPCYP2C19MME

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
EP-2274264-A1 NEW PROCESS FOR THE PREPARATION OF CYCLOHEXANECARBOXYLIC ACID DERIVATIVES VIA THE CORRESPONDING CYCLOHEXANECARBOXAMIDE DERIVATIVE F. Hoffmann-La Roche AG (CH) 2011-01-19 — — EP disclosed
WO-2009121789-A1 NEW PROCESS FOR THE PREPARATION OF CYCLOHEXANECARBOXYLIC ACID DERIVATIVES VIA THE CORRESPONDING CYCLOHEXANECARBOXAMIDE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 — — WO disclosed