SCHEMBL2226291

SCHEMBL2226291

Cc1cc(-c2nc3cnc(Oc4cccc(OC(F)(F)F)c4)nc3o2)cc(C)c1[O]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.55
CETP P11597 2/20 0.42
EGFR P00533 2/20 0.35
BTK Q06187 2/20 0.35
P2RY14 Q15391 2/20 0.35
ATR Q13535 1/20 0.34
MAPT P10636 1/20 0.34
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
F10 P00742 1/20 0.34
ACACB O00763 1/20 0.34
KIT P10721 1/20 0.33
GRM5 P41594 1/20 0.33
LIPE Q05469 1/20 0.33
PPARG P37231 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
SCHEMBL2224272 0.88 S1PR1 (0.55) S1PR1CETPEGFRBTKMAPT
SCHEMBL2224650 0.88 S1PR1 (0.58) S1PR1MAPT
SCHEMBL2228933 0.87 S1PR1 (0.58) S1PR1CETPEGFRBTKACACB
SCHEMBL14797047 0.86 S1PR1 (0.77) S1PR1CETPP2RY14PPARG
SCHEMBL2224909 0.85 S1PR1 (0.58) S1PR1MAPT
SCHEMBL2223355 0.85 S1PR1 (0.73) S1PR1
SCHEMBL2223974 0.83 S1PR1 (0.49) S1PR1CETPMAPTPPARG
SCHEMBL2269044 0.83 S1PR1 (0.55) S1PR1MAPTACACB
SCHEMBL2223341 0.82 S1PR1 (0.54) S1PR1GRIN1GRIN2BPPARG
SCHEMBL2225909 0.82 S1PR1 (0.54) 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 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