SCHEMBL2222097

SCHEMBL2222097

CC(Oc1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1)C(=O)N1CCC[C@@H]1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
ACACB O00763 3/20 0.37
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34
S1PR1 P21453 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
GCK P35557 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL14777916 0.90 RAB9A (0.40) THRBACACBRAB9ALMNAFFAR1
SCHEMBL14777917 0.90 RAB9A (0.40) THRBACACBRAB9ALMNAFFAR1
SCHEMBL2222095 0.90 RAB9A (0.40) THRBACACBRAB9ALMNAFFAR1
SCHEMBL2222395 0.90 S1PR1 (0.42) THRBACACBRAB9ALMNAFFAR1
SCHEMBL2223318 0.88 CPT1A (0.41) FFAR1S1PR1
SCHEMBL2223229 0.84 PRCP (0.41) ACACBFFAR1S1PR1GRIN2B
SCHEMBL2222697 0.83 HRH3 (0.37) RAB9ALMNAFFAR1S1PR1CYP1A2
SCHEMBL2223379 0.82 PPARG (0.46) ACACBS1PR1CYP1A2PPARGPPARA
SCHEMBL15310017 0.82 CPT1A (0.38) LMNAFFAR1S1PR1MEN1KMT2A
SCHEMBL2223289 0.81 S1PR1 (0.42) THRBLMNAS1PR1HSD17B10HPGD

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