SCHEMBL2224919

SCHEMBL2224919

Cc1ccccc1Oc1ncc2nc(-c3cc(C)c([O])c(C)c3)oc2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.37
CEPT1 Q9Y6K0 8/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CETP P11597 9/20 0.36
TP53 P04637 2/20 0.36
SGMS2 Q8NHU3 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL2222186 0.91 S1PR1 (0.48) S1PR1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL2223699 0.88 S1PR1 (0.45) S1PR1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2225559 0.87 S1PR1 (0.49) S1PR1MAPTALDH1A1CYP1A2HPGD
SCHEMBL2222985 0.86 S1PR1 (0.52) S1PR1MAPTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL2224286 0.86 S1PR1 (0.54) S1PR1MAPTALDH1A1KDM4ECYP1A2
SCHEMBL2222292 0.85 S1PR1 (0.44) S1PR1
SCHEMBL2223599 0.85 S1PR1 (0.47) S1PR1MAPTCEPT1RXFP1CETP
SCHEMBL2269044 0.84 S1PR1 (0.55) S1PR1MAPTALDH1A1KDM4ECYP1A2
SCHEMBL2222541 0.84 S1PR1 (0.51) S1PR1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL14797136 0.84 S1PR1 (0.71) S1PR1MAPTCEPT1RXFP1CETP

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