SCHEMBL2223974

SCHEMBL2223974

Cc1cc(-c2nc3cnc(Oc4ccc(C(F)(F)F)cc4)nc3o2)cc(C)c1[O]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
PTPN1 P18031 3/20 0.37
PPARD Q03181 5/20 0.36
PPARA Q07869 3/20 0.36
PPARG P37231 4/20 0.36
CETP P11597 3/20 0.35
TLR9 Q9NR96 1/20 0.35
UTRN P46939 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
CDK1 P06493 1/20 0.33
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL2221033 0.90 S1PR1 (0.49) S1PR1PTPN1PPARDPPARAPPARG
SCHEMBL2224272 0.89 S1PR1 (0.55) S1PR1PTPN1CETPUTRNHSPD1
SCHEMBL2224142 0.88 S1PR1 (0.51) S1PR1CETPMEN1ALDH1A1MAPT
SCHEMBL2227168 0.88 S1PR1 (0.52) S1PR1PTPN1CETPCLK4KDM4E
SCHEMBL2222853 0.86 S1PR1 (0.58) S1PR1CETPMEN1ALDH1A1MAPT
SCHEMBL14797067 0.85 S1PR1 (0.70) S1PR1PTPN1PPARDPPARAPPARG
SCHEMBL2223895 0.84 S1PR1 (0.52) S1PR1PPARGCLK4MEN1ALDH1A1
SCHEMBL2223341 0.84 S1PR1 (0.54) S1PR1PPARAPPARGMEN1ALDH1A1
SCHEMBL2225909 0.84 S1PR1 (0.54) S1PR1MAP4K4MEN1ALDH1A1HPGD
SCHEMBL2269044 0.83 S1PR1 (0.55) S1PR1UTRNKDM4EMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523962-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086079-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed