SCHEMBL2223341

SCHEMBL2223341

Cc1cc(Oc2ncc3nc(-c4cc(C)c([O])c(C)c4)oc3n2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
APP P05067 6/20 0.36
CHEK2 O96017 2/20 0.34
USP2 O75604 6/20 0.32
ALDH1A1 P00352 6/20 0.32
CYP1A2 P05177 6/20 0.32
CYP3A4 P08684 6/20 0.32
CYP2C9 P11712 4/20 0.32
MAPK1 P28482 3/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 3/20 0.32
HIF1A Q16665 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
PPARG P37231 3/20 0.31
CYP2D6 P10635 1/20 0.31
MEN1 O00255 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
SCHEMBL2225909 0.94 S1PR1 (0.54) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2223895 0.92 S1PR1 (0.52) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2222343 0.91 S1PR1 (0.56) S1PR1APPCHEK2USP2ALDH1A1
SCHEMBL2222639 0.90 S1PR1 (0.54) S1PR1APPCHEK2USP2ALDH1A1
SCHEMBL2225306 0.89 S1PR1 (0.54) S1PR1APPCHEK2USP2ALDH1A1
SCHEMBL2224142 0.89 S1PR1 (0.51) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2222853 0.87 S1PR1 (0.58) S1PR1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL2227168 0.87 S1PR1 (0.52) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2228933 0.86 S1PR1 (0.58) S1PR1APPUSP2ALDH1A1CYP1A2
SCHEMBL2269044 0.86 S1PR1 (0.55) S1PR1USP2ALDH1A1CYP1A2CYP3A4

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