SCHEMBL15310087

SCHEMBL15310087

COc1cccc(Oc2ncc3nc(-c4cc(C)c(OCC(=O)N5CC(C(=O)O)C5)c(C)c4)oc3n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.63
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
EGFR P00533 1/20 0.37
BTK Q06187 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.35
USP2 O75604 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 2/20 0.35
LDHA P00338 1/20 0.35
MAPK1 P28482 2/20 0.34
CLK4 Q9HAZ1 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL15310089 0.93 S1PR1 (0.61) S1PR1NPC1RAB9AKMT2APOLB
SCHEMBL15310088 0.91 S1PR1 (0.61) S1PR1NPC1RAB9AKMT2APOLB
SCHEMBL15310091 0.87 S1PR1 (0.59) S1PR1NPC1RAB9AKMT2APOLB
SCHEMBL14797011 0.86 S1PR1 (0.82) S1PR1KMT2AMEN1LMNAUSP2
SCHEMBL15310181 0.86 S1PR1 (0.72) S1PR1POLBEGFRBTKGAA
SCHEMBL15310051 0.86 S1PR1 (0.54) S1PR1POLBLMNAALDH1A1CETP
SCHEMBL15310034 0.85 S1PR1 (0.59) S1PR1NPC1RAB9AKMT2APOLB
SCHEMBL15310010 0.84 S1PR1 (0.74) S1PR1KMT2APOLBMEN1EGFR
SCHEMBL15310231 0.83 S1PR1 (0.51) S1PR1NPC1RAB9AKMT2APOLB
SCHEMBL15310217 0.83 S1PR1 (0.59) S1PR1NPC1RAB9AKMT2APOLB

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