SCHEMBL15911879

SCHEMBL15911879

O=C(O)OC1(NC(=O)c2ccc3ccccc3c2OCc2ccc(SC(F)(F)F)cc2)CCSCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 6/20 0.52
▸ PTPRZ1 P23471 2/20 0.36
▸ KCNK2 O95069 1/20 0.33
▸ KCNK10 P57789 1/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ PDE2A O00408 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL3924703 0.88 CXCR2 (0.64) CXCR2PTPRZ1KCNK2KCNK10PTPN2
SCHEMBL27693236 0.83 CXCR2 (0.53) CXCR2PTPRZ1KCNK2KCNK10PTPN2
SCHEMBL485653 0.82 CXCR2 (0.67) CXCR2PTPRZ1KCNK2KCNK10PDE2A
SCHEMBL485250 0.82 CXCR2 (0.67) CXCR2PTPRZ1KCNK2KCNK10ALDH1A1
SCHEMBL15911883 0.79 CXCR2 (0.79) CXCR2PTPRZ1KCNK2KCNK10PTPN2
SCHEMBL3925807 0.77 CXCR2 (0.58) CXCR2ALDH1A1GAAMAPT
SCHEMBL23460976 0.77 CXCR2 (0.49) CXCR2PTPRZ1KCNK2KCNK10ALDH1A1
SCHEMBL15911885 0.77 ALOX5 (0.45) CXCR2ALDH1A1MAPTALOX5KDM4E
SCHEMBL25548759 0.77 CXCR2 (0.49) CXCR2PTPRZ1KCNK2KCNK10ALDH1A1
SCHEMBL485837 0.76 ALDH1A1 (0.48) CXCR2ALDH1A1KDM4EHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040690-B1 INHIBITORS OF CXCR2 SANOFI SA (FR) 2014-08-06 — — EP claimed
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