SCHEMBL11517547

SCHEMBL11517547

CCCCCC(C)(C)OOC(=O)OC1CCCC(C)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
RAB9A P51151 1/20 0.31
CCR2 P41597 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CXCR4 P61073 1/20 0.31
CNR2 P34972 2/20 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
SCHEMBL11516680 0.87 NAAA (0.49) NAAACCR2CCR1CCR5CXCR4
SCHEMBL11516351 0.85 NAAA (0.50) NAAACCR2CCR1CCR5CXCR4
SCHEMBL11517597 0.85 NAAA (0.50) NAAACCR2CCR1CCR5CXCR4
SCHEMBL11517840 0.85 NAAA (0.50) NAAACCR2CCR1CCR5CXCR4
SCHEMBL11514776 0.84 NAAA (0.41) NAAACCR2CCR1CCR5CXCR4
SCHEMBL11514364 0.81 LMNA (0.39)
SCHEMBL11514064 0.77 NAAA (0.35) NAAACCR2CCR1CCR5CXCR4
SCHEMBL8258140 0.74 NAAA (0.40) NAAARAB9A
SCHEMBL11515643 0.74 NAAA (0.33) NAAACCR2CCR1CCR5CXCR4
SCHEMBL11517458 0.74 MEN1 (0.33)

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
US-4136105-A POLYMERIZATION CATALYSTS, CURING AGENTS, FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1979-01-23 US disclosed