SCHEMBL15310089

SCHEMBL15310089

COc1cccc(Oc2ncc3nc(-c4cc(C)c(OCC(=O)N5CCC(C(=O)O)CC5)c(C)c4)oc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.61
POLB P06746 3/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAB9A P51151 1/20 0.40
NEK2 P51955 1/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
RCE1 Q9Y256 1/20 0.37
LDHA P00338 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL15310087 0.93 S1PR1 (0.63) S1PR1POLBLMNAKMT2ANPC1
SCHEMBL15310010 0.92 S1PR1 (0.74) S1PR1POLBLMNAKMT2AMEN1
SCHEMBL15310091 0.91 S1PR1 (0.59) S1PR1POLBLMNAKMT2ANPC1
SCHEMBL15310181 0.88 S1PR1 (0.72) S1PR1POLBLMNAGAA
SCHEMBL15310136 0.87 S1PR1 (0.53) S1PR1POLBLMNARXFP1RCE1
SCHEMBL15310034 0.87 S1PR1 (0.59) S1PR1POLBKMT2ANPC1RAB9A
SCHEMBL15310088 0.87 S1PR1 (0.61) S1PR1POLBLMNAKMT2ANPC1
SCHEMBL15310001 0.87 S1PR1 (0.53) S1PR1POLBLMNARXFP1
SCHEMBL14797011 0.85 S1PR1 (0.82) S1PR1LMNAKMT2AMEN1
SCHEMBL15310217 0.85 S1PR1 (0.59) S1PR1POLBKMT2ANPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP disclosed