SCHEMBL2222639

SCHEMBL2222639

Cc1cc(-c2nc3cnc(Oc4ccc(Cl)c(F)c4)nc3o2)cc(C)c1[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
APP P05067 5/20 0.34
USP2 O75604 4/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
PPARG P37231 3/20 0.33
CYP2C9 P11712 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CHEK2 O96017 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
SCHEMBL2222343 0.93 S1PR1 (0.56) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2223895 0.92 S1PR1 (0.52) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2225909 0.92 S1PR1 (0.54) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2224653 0.90 S1PR1 (0.56) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2223341 0.90 S1PR1 (0.54) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2224142 0.87 S1PR1 (0.51) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2222853 0.87 S1PR1 (0.58) S1PR1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL14797334 0.85 S1PR1 (0.77) S1PR1CYP3A4PPARGMAPTKDM4E
SCHEMBL2227168 0.85 S1PR1 (0.52) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2223206 0.85 S1PR1 (0.47) S1PR1APPUSP2ALDH1A1CYP1A2

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-2523962-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086079-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed