SCHEMBL2226520

SCHEMBL2226520

CCCOc1nc(Oc2cc(F)ccc2F)nc2oc(-c3cc(C)c(OCC(=O)N4CCC[C@@H]4OC(=O)O)c(C)c3)nc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
GRIN2B Q13224 1/20 0.31
CPT1A P50416 3/20 0.31
TPH1 P17752 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
BRD4 O60885 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
SCHEMBL2226748 0.95 S1PR1 (0.33) S1PR1CPT1A
SCHEMBL2224866 0.95 HCRTR1 (0.34) S1PR1TPH1BRD4
SCHEMBL2226618 0.95 S1PR1 (0.36) S1PR1CPT1A
SCHEMBL2227532 0.92 S1PR1 (0.31) S1PR1
SCHEMBL15021656 0.92 KMT2A (0.37) S1PR1GRIN2BCPT1A
SCHEMBL2226516 0.92 KMT2A (0.37) S1PR1GRIN2BCPT1A
SCHEMBL2226922 0.89 S1PR1 (0.37) S1PR1CPT1APPARGPPARA
SCHEMBL2229706 0.89 S1PR1 (0.41) S1PR1CPT1A
SCHEMBL15021217 0.88 ROCK2 (0.32) S1PR1CPT1A
SCHEMBL2226746 0.87 KMT2A (0.38) S1PR1CPT1A

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 6 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
EP-2523959-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086078-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed