SCHEMBL2269044

SCHEMBL2269044

Cc1cc(-c2nc3cnc(Oc4ccc5ccccc5c4)nc3o2)cc(C)c1[O]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.55
HTT P42858 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 8/20 0.35
MAPT P10636 6/20 0.35
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 3/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 10/20 0.33
MAPK1 P28482 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ENPP3 O14638 1/20 0.33
ALPL P05186 1/20 0.33
ENPP1 P22413 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
SCHEMBL2227168 0.88 S1PR1 (0.52) S1PR1HTTMEN1KMT2ACYP1A2
SCHEMBL2223895 0.86 S1PR1 (0.52) S1PR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2224653 0.86 S1PR1 (0.56) S1PR1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL2225909 0.86 S1PR1 (0.54) S1PR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2223341 0.86 S1PR1 (0.54) S1PR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2224650 0.86 S1PR1 (0.58) S1PR1MEN1KMT2ACYP1A2MAPT
SCHEMBL2222853 0.86 S1PR1 (0.58) S1PR1HTTMEN1KMT2ACYP1A2
SCHEMBL2224142 0.86 S1PR1 (0.51) S1PR1HTTMEN1KMT2ACYP1A2
SCHEMBL2223355 0.85 S1PR1 (0.73) S1PR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2228933 0.85 S1PR1 (0.58) S1PR1HTTMEN1KMT2ACYP1A2

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