SCHEMBL2229207

SCHEMBL2229207

CCCOc1nc(Oc2cccc(Cl)c2)nc2oc(-c3cc(C)c(OCC(=O)N4CCC[C@@H]4OC(=O)O)c(C)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.51
CPT1A P50416 12/20 0.33
CPT2 P23786 8/20 0.33
CPT1B Q92523 2/20 0.32
FFAR1 O14842 1/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PRCP P42785 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2229706 0.94 S1PR1 (0.41) S1PR1CPT1ACPT2CPT1BPRCP
SCHEMBL2229203 0.92 S1PR1 (0.51) S1PR1CPT1ACPT2CPT1BFFAR1
SCHEMBL15021694 0.92 S1PR1 (0.51) S1PR1CPT1ACPT2CPT1BFFAR1
SCHEMBL2229532 0.90 S1PR1 (0.40) S1PR1CPT1ACPT2CPT1BALDH1A1
SCHEMBL2226922 0.89 S1PR1 (0.37) S1PR1CPT1AALDH1A1PRCP
SCHEMBL2226618 0.87 S1PR1 (0.36) S1PR1CPT1ACPT2PRCP
SCHEMBL2226520 0.86 S1PR1 (0.34) S1PR1CPT1A
SCHEMBL15310194 0.85 S1PR1 (0.71) S1PR1CPT1ACPT2CYP1A2ALDH1A1
SCHEMBL15021696 0.85 S1PR1 (0.42) S1PR1CPT1ACPT2CPT1B
SCHEMBL2229703 0.85 S1PR1 (0.42) S1PR1CPT1ACPT2CPT1B

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