SCHEMBL2225683

SCHEMBL2225683

CCCOc1nc(O[C@@H]2CCCC[C@H]2F)nc2oc(-c3cc(C)c(OCC(=O)N4CCC[C@@H]4OC(=O)O)c(C)c3)nc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
CPT1A P50416 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
SCHEMBL2224827 0.92
SCHEMBL2225681 0.91 KMT2A (0.36) S1PR1CPT1A
SCHEMBL15033116 0.91 KMT2A (0.36) S1PR1CPT1A
SCHEMBL15021511 0.91 KMT2A (0.36) S1PR1CPT1A
SCHEMBL15021738 0.91 KMT2A (0.36) S1PR1CPT1A
SCHEMBL2229706 0.88 S1PR1 (0.41) S1PR1CPT1A
SCHEMBL2146204 0.87 S1PR1 (0.42) S1PR1
SCHEMBL14798096 0.87 S1PR1 (0.42) S1PR1
SCHEMBL14805118 0.87 S1PR1 (0.42) S1PR1
SCHEMBL15021697 0.87 KDM4E (0.31)

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