SCHEMBL20400486

SCHEMBL20400486

CC(CO)c1cccc(CO)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.38
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
TRPV3 Q8NET8 3/20 0.35
IRAK4 Q9NWZ3 5/20 0.34
TRPA1 O75762 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CXCR4 P61073 1/20 0.32

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
SCHEMBL20436438 0.87 TSHR (0.37) CCR1GABRA1GABRG2GABRB3IRAK4
SCHEMBL20738454 0.87 PARP1 (0.35) TRPV3TRPA1CXCR4
SCHEMBL4047127 0.84 GABRA1 (0.42) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL17827972 0.82 HTT (0.42) CCR1TRPA1
SCHEMBL20738703 0.82 HTT (0.42) CCR1TRPA1
SCHEMBL19085083 0.82 CCR1 (0.39) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL20416692 0.82 CCR1 (0.39) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL19077721 0.82 CCR1 (0.33) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL20738460 0.81 CCR1 (0.42) CCR1GABRA1GABRG2GABRB3TRPV3
SCHEMBL29337105 0.81 IRAK4 (0.44) CCR1IRAK4

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
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 WO disclosed