SCHEMBL2226922

SCHEMBL2226922

CCCOc1nc(Oc2ccc(C)c(F)c2)nc2oc(-c3cc(C)c(OCC(=O)N4CCC[C@@H]4OC(=O)O)c(C)c3)nc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.37
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
PRCP P42785 1/20 0.32
CPT1A P50416 4/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2229706 0.92 S1PR1 (0.41) S1PR1PRCPCPT1A
SCHEMBL2226920 0.92 S1PR1 (0.38) S1PR1PPARGPPARAALDH1A1
SCHEMBL15021796 0.92 S1PR1 (0.38) S1PR1PPARGPPARAALDH1A1
SCHEMBL2226618 0.90 S1PR1 (0.36) S1PR1PRCPCPT1A
SCHEMBL2224866 0.90 HCRTR1 (0.34) S1PR1
SCHEMBL2226748 0.90 S1PR1 (0.33) S1PR1CPT1A
SCHEMBL2229207 0.89 S1PR1 (0.51) S1PR1PRCPCPT1AALDH1A1
SCHEMBL2226520 0.89 S1PR1 (0.34) S1PR1PPARGPPARACPT1A
SCHEMBL2229532 0.88 S1PR1 (0.40) S1PR1PRCPCPT1AALDH1A1LMNA
SCHEMBL14798831 0.85 S1PR1 (0.50) S1PR1PPARGPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523959-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-11-27 EP claimed
EP-2523959-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP claimed
WO-2011086078-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO claimed
EP-2523959-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-11-27 EP disclosed