SCHEMBL2224649

SCHEMBL2224649

Cc1cc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc(C)c1OCC(=O)N1CCC[C@@H]1OC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.51
CPT1A P50416 8/20 0.34
PRCP P42785 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
GRIN2B Q13224 1/20 0.34
GCK P35557 1/20 0.34
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CPT2 P23786 2/20 0.33
FFAR1 O14842 1/20 0.33
S1PR5 Q9H228 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
SCHEMBL15309983 0.95 S1PR1 (0.51) S1PR1CPT1APRCPLMNAPOLB
SCHEMBL2223289 0.92 S1PR1 (0.42) S1PR1CPT1APRCPHPGDLMNA
SCHEMBL14777535 0.91 S1PR1 (0.51) S1PR1CPT1AHPGDCPT2
SCHEMBL2224648 0.91 S1PR1 (0.51) S1PR1CPT1AHPGDCPT2
SCHEMBL15310383 0.89 S1PR1 (0.42) S1PR1GRIN2BGCKUSP2ALDH1A1
SCHEMBL2222395 0.89 S1PR1 (0.42) S1PR1LMNAGRIN2BGCKUSP2
SCHEMBL15310017 0.88 CPT1A (0.38) S1PR1CPT1AHPGDLMNAMAPT
SCHEMBL15310002 0.88 S1PR1 (0.52) S1PR1CPT1AHPGDLMNAPOLB
SCHEMBL2223318 0.88 CPT1A (0.41) S1PR1CPT1APRCPCPT2FFAR1
SCHEMBL15310033 0.88 S1PR1 (0.50) S1PR1CPT1AHPGDLMNAPOLB

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-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP claimed
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP disclosed
EP-2523960-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086080-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed