SCHEMBL2229532

SCHEMBL2229532

CCCOc1nc(Oc2cccnc2)nc2oc(-c3cc(C)c(OCC(=O)N4CCC[C@@H]4OC(=O)O)c(C)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.40
CPT1A P50416 14/20 0.36
CPT1B Q92523 4/20 0.36
CPT2 P23786 10/20 0.35
PRCP P42785 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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 0.95 S1PR1 (0.41) S1PR1CPT1ACPT1BCPT2PRCP
SCHEMBL15021710 0.92 S1PR1 (0.40) S1PR1CPT1ACPT1BCPT2MEN1
SCHEMBL2229528 0.92 S1PR1 (0.40) S1PR1CPT1ACPT1BCPT2MEN1
SCHEMBL2229207 0.90 S1PR1 (0.51) S1PR1CPT1ACPT1BCPT2PRCP
SCHEMBL2226922 0.88 S1PR1 (0.37) S1PR1CPT1APRCPALDH1A1LMNA
SCHEMBL2226618 0.88 S1PR1 (0.36) S1PR1CPT1ACPT2PRCP
SCHEMBL2229703 0.86 S1PR1 (0.42) S1PR1CPT1ACPT1BCPT2MEN1
SCHEMBL15021696 0.86 S1PR1 (0.42) S1PR1CPT1ACPT1BCPT2MEN1
SCHEMBL2226748 0.86 S1PR1 (0.33) S1PR1CPT1AKMT2A
SCHEMBL2224866 0.86 HCRTR1 (0.34) S1PR1

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