SCHEMBL28043181

SCHEMBL28043181

N#CCn1c(C(=O)O)cc2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 6/20 0.44
CCR2 P41597 7/20 0.42
GPR35 Q9HC97 4/20 0.41
FDPS P14324 1/20 0.38

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
SCHEMBL2400013 0.82 CCR2 (0.63) CCR2GPR35FDPS
SCHEMBL1983207 0.76 MEN1 (0.49)
SCHEMBL3107354 0.75 MCL1 (0.56) CCR9CCR2GPR35
SCHEMBL2399910 0.75 CCR2 (0.62) CCR9CCR2
SCHEMBL25393580 0.75 HTR1D (0.40) CCR9CCR2
SCHEMBL3817923 0.72 KDM4E (0.60) CCR9CCR2
SCHEMBL1981433 0.72 CCR9 (0.44) CCR9CCR2GPR35
SCHEMBL31525736 0.72 PLA2G4A (0.46)
SCHEMBL3766450 0.71 POLB (0.63) CCR9
SCHEMBL20909826 0.70 CCR9 (0.55) CCR9CCR2GPR35FDPS

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
CN-105163738-A MK2 inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-16 CN disclosed