SCHEMBL15966896

SCHEMBL15966896

Cc1cc(-c2nc3cnc(Oc4cccc(F)c4)nc3o2)cc(C(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
CETP P11597 3/20 0.36
MAOB P27338 2/20 0.35
ACACB O00763 1/20 0.34
ALDH1A1 P00352 4/20 0.33
USP2 O75604 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
MAPK1 P28482 2/20 0.33
DHODH Q02127 2/20 0.33
TSHR P16473 2/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
APP P05067 2/20 0.32
HPGD P15428 2/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL2228933 0.84 S1PR1 (0.58) S1PR1CETPMAOBACACBALDH1A1
SCHEMBL14797100 0.81 S1PR1 (0.61) S1PR1CETPMAOBACACBALDH1A1
SCHEMBL2222592 0.79 S1PR1 (0.81) S1PR1CETPMAOBACACBDHODH
SCHEMBL2225306 0.79 S1PR1 (0.54) S1PR1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL15966895 0.77 S1PR1 (0.54) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2222684 0.76 S1PR1 (0.48) S1PR1APPKMT2ATP53MAPT
SCHEMBL2222401 0.73 S1PR1 (0.49) S1PR1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL2224650 0.73 S1PR1 (0.58) S1PR1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL2224142 0.72 S1PR1 (0.51) S1PR1CETPALDH1A1USP2CYP1A2
SCHEMBL14796967 0.72 S1PR1 (0.62) S1PR1CETPACACBDHODHMEN1

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
US-9040544-B2 2,5-substituted oxazolopyrimidine derivatives SANOFI (FR) 2015-05-26 US claimed
EP-2523963-B1 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE DERIVATIVES AS EDG-1 AGONISTS SANOFI SA (FR) 2014-08-27 EP disclosed