SCHEMBL9190458

SCHEMBL9190458

CCCCCCCCCCCCCCCCCC(=O)C1CNC(C(C)(CC=O)CCCCCCCCCCCCCC)=N1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.33
CCR2 P41597 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CXCR4 P61073 1/20 0.31
PRKCA P17252 1/20 0.30

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
SCHEMBL9193342 1.00 NAAA (0.33) NAAACCR2CCR1CCR5CXCR4
SCHEMBL9192224 1.00 NAAA (0.33) NAAACCR2CCR1CCR5CXCR4
SCHEMBL9195479 1.00 NAAA (0.33) NAAACCR2CCR1CCR5CXCR4
SCHEMBL9193610 1.00 NAAA (0.33) NAAACCR2CCR1CCR5CXCR4
SCHEMBL9172814 0.79
SCHEMBL6140954 0.79
SCHEMBL9166166 0.79
SCHEMBL9161018 0.79
SCHEMBL6140906 0.79
SCHEMBL6141229 0.70 NISCH (0.31) CCR2CCR1CCR5CXCR4

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-0431652-B1 Fabric softening and anti-static compositions PROCTER & GAMBLE (US) 1995-10-25 EP disclosed
US-5116520-A FABRIC SOFTENING AND ANTI-STATIC COMPOSITIONS CONTAINING A QUATERNIZED DI-SUBSTITUTED IMIDAZOLINE ESTER FABRIC SOFTENING COMPOUND WITH A NONIONIC FABRIC SOFTENING COMPOUND THE PROCTER & GAMBLE CO. (US) 1992-05-26 US disclosed
EP-0431652-A1 Fabric softening and anti-static compositions THE PROCTER & GAMBLE COMPANY (US) 1991-06-12 EP disclosed
EP-0375029-A2 Process for preparing substituted imidazoline fabric conditioning compounds THE PROCTER & GAMBLE COMPANY (US) 1990-06-27 EP disclosed