SCHEMBL11514064

SCHEMBL11514064

CCCCCC(C)(C)OOC(=O)OC1CCCCC1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.35
CYP19A1 P11511 1/20 0.35
CCR2 P41597 3/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CXCR4 P61073 1/20 0.34

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
SCHEMBL11517778 0.86 NAAA (0.35) NAAACCR2CCR1CCR5CXCR4
SCHEMBL11516680 0.83 NAAA (0.49) NAAACYP19A1CCR2CCR1CCR5
SCHEMBL11517597 0.82 NAAA (0.50) NAAACYP19A1CCR2CCR1CCR5
SCHEMBL11517840 0.82 NAAA (0.50) NAAACYP19A1CCR2CCR1CCR5
SCHEMBL11516351 0.82 NAAA (0.50) NAAACYP19A1CCR2CCR1CCR5
SCHEMBL11514776 0.80 NAAA (0.41) NAAACCR2CCR1CCR5CXCR4
SCHEMBL11517406 0.79 MEN1 (0.33)
SCHEMBL11517547 0.77 NAAA (0.37) NAAACCR2CCR1CCR5CXCR4
SCHEMBL11517458 0.76 MEN1 (0.33)
SCHEMBL11516183 0.74 NAAA (0.36) NAAACCR2CCR1CCR5CXCR4

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