SCHEMBL15966895

SCHEMBL15966895

Cc1cc(-c2nc3cnc(Oc4cccnc4)nc3o2)cc(C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.54
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 4/20 0.37
HSD17B10 Q99714 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ELANE P08246 1/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2225370 0.88 S1PR1 (0.58) S1PR1KDM4ENPC1HSD17B10RAB9A
SCHEMBL14796985 0.83 S1PR1 (0.57) S1PR1KDM4ENPC1HSD17B10RAB9A
SCHEMBL2225306 0.81 S1PR1 (0.54) S1PR1ALOX5HSD17B10ALDH1A1CYP1A2
SCHEMBL2221033 0.80 S1PR1 (0.49) S1PR1KDM4EALDH1A1HPGDMAPT
SCHEMBL2222684 0.80 S1PR1 (0.48) S1PR1ALOX5TP53LMNAMAPT
SCHEMBL2228763 0.77 S1PR1 (0.64) S1PR1KDM4ENPC1HSD17B10RAB9A
SCHEMBL15966896 0.77 S1PR1 (0.52) S1PR1KDM4EHSD17B10RAB9AALDH1A1
SCHEMBL2223451 0.76 S1PR1 (0.45) S1PR1GAAKMT2A
SCHEMBL2224650 0.74 S1PR1 (0.58) S1PR1KDM4ENPC1HSD17B10RAB9A
SCHEMBL2223368 0.74 S1PR1 (0.83) S1PR1KDM4EHSD17B10ALDH1A1CYP1A2

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