SCHEMBL2226748

SCHEMBL2226748

CCCOc1nc(Oc2cc(F)ccc2C)nc2oc(-c3cc(C)c(OCC(=O)N4CCC[C@@H]4OC(=O)O)c(C)c3)nc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
CPT1A P50416 2/20 0.31
KMT2A Q03164 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
SCHEMBL2226520 0.95 S1PR1 (0.34) S1PR1CPT1A
SCHEMBL2224866 0.95 HCRTR1 (0.34) S1PR1
SCHEMBL2226618 0.93 S1PR1 (0.36) S1PR1CPT1A
SCHEMBL15021296 0.92 KMT2A (0.38) S1PR1CPT1AKMT2A
SCHEMBL2226746 0.92 KMT2A (0.38) S1PR1CPT1AKMT2A
SCHEMBL2226922 0.90 S1PR1 (0.37) S1PR1CPT1A
SCHEMBL2229706 0.89 S1PR1 (0.41) S1PR1CPT1A
SCHEMBL2227532 0.88 S1PR1 (0.31) S1PR1
SCHEMBL15021656 0.87 KMT2A (0.37) S1PR1CPT1AKMT2A
SCHEMBL2226516 0.87 KMT2A (0.37) S1PR1CPT1AKMT2A

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