SCHEMBL185977

SCHEMBL185977

COc1c(F)ccc2c1c(N)nn2Cc1cccc(C(NC(=O)O)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 10/20 0.44
RORC P51449 2/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR1E P28566 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S1PR3 Q99500 1/20 0.34
PPARG P37231 2/20 0.33
CCR5 P51681 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL185878 0.81 CCR4 (0.71) CCR4CCR5FFAR4SLCO1B1
SCHEMBL356021 0.78 CCR4 (0.46) CCR4RORCNPSR1CCR5FFAR4
SCHEMBL185210 0.73 CCR4 (0.42) CCR4ALDH1A1TLR7
SCHEMBL18786 0.72 CCR4 (0.68) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186787 0.68 HPGDS (0.43)
SCHEMBL202383 0.66 CCR4 (0.69) CCR4CCR5FFAR4SLCO1B1
SCHEMBL201970 0.66 CCR4 (0.68) CCR4CCR5FFAR4SLCO1B1
SCHEMBL186030 0.65 CCR4 (0.43) CCR4CCR5FFAR4SLCO1B1
SCHEMBL2454760 0.65 PDE2A (0.41) LMNASMN1; SMN2
SCHEMBL2459503 0.65 CPN1 (0.45) KDM4EALDH1A1LMNASMN1; SMN2

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-2401270-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2012-01-04 EP disclosed
WO-2010097395-A1 PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-09-02 WO disclosed