SCHEMBL27712979

SCHEMBL27712979

O=COC1(NC(=O)c2cc(F)c3ccccc3c2OCc2ccc(C(F)(F)F)cc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.53
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAOB P27338 3/20 0.37
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
SENP5 Q96HI0 1/20 0.37
SENP2 Q9HC62 1/20 0.37
SENP1 Q9P0U3 1/20 0.37
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
LRRK2 Q5S007 1/20 0.35
SLC6A5 Q9Y345 2/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PTPN1 P18031 1/20 0.35
ADAM17 P78536 1/20 0.35
YAP1 P46937 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
SCHEMBL27693267 0.90 CXCR2 (0.43) CXCR2AURKARPS6KB1AURKBMAOB
SCHEMBL27693249 0.88 CXCR2 (0.43) CXCR2
SCHEMBL27713046 0.87 CXCR2 (0.57) CXCR2AURKARPS6KB1AURKBMAOB
SCHEMBL485166 0.85 CXCR2 (0.69) CXCR2MAOBSENP5SENP2SENP1
SCHEMBL15911884 0.82 CXCR2 (0.62) CXCR2AURKARPS6KB1AURKBMAOB
SCHEMBL27693416 0.82 CXCR2 (0.38) CXCR2
SCHEMBL27693245 0.82 CXCR2 (0.43) CXCR2MAOB
SCHEMBL27693229 0.81 CXCR2 (0.43) CXCR2PPARAPPARDADAM17
SCHEMBL3930274 0.80 CXCR2 (0.80) CXCR2MAOBSENP5SENP2SENP1
SCHEMBL27693232 0.80 CXCR2 (0.45) CXCR2

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
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN claimed
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN disclosed