SCHEMBL2223355

SCHEMBL2223355

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.73
CYP1A2 P05177 19/20 0.46
CYP3A4 P08684 14/20 0.46
USP2 O75604 12/20 0.46
GLA P06280 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 14/20 0.45
CYP2C9 P11712 14/20 0.45
CYP2C19 P33261 13/20 0.45
TSHR P16473 11/20 0.45
HSD17B10 Q99714 6/20 0.45
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 3/20 0.44
CASP1 P29466 3/20 0.43
CASP7 P55210 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2224650 0.88 S1PR1 (0.58) S1PR1CYP1A2CYP3A4USP2GLA
SCHEMBL2222853 0.88 S1PR1 (0.58) S1PR1CYP1A2CYP3A4USP2GLA
SCHEMBL2228933 0.88 S1PR1 (0.58) S1PR1CYP1A2CYP3A4USP2LMNA
SCHEMBL2224653 0.86 S1PR1 (0.56) S1PR1CYP1A2CYP3A4USP2GLA
SCHEMBL2225550 0.86 S1PR1 (0.56) S1PR1CYP1A2CYP3A4USP2GLA
SCHEMBL2222343 0.86 S1PR1 (0.56) S1PR1CYP1A2CYP3A4USP2GLA
SCHEMBL2224909 0.86 S1PR1 (0.58) S1PR1CYP1A2CYP3A4USP2TP53
SCHEMBL2269044 0.85 S1PR1 (0.55) S1PR1CYP1A2CYP3A4USP2GLA
SCHEMBL2226291 0.85 S1PR1 (0.55) S1PR1
SCHEMBL2224272 0.85 S1PR1 (0.55) S1PR1CYP1A2LMNAALDH1A1CYP2C9

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 claimed
WO-2011086079-A1 CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO claimed