SCHEMBL15310091

SCHEMBL15310091

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.59
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.38
LDHA P00338 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
EGFR P00533 1/20 0.35
BTK Q06187 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 3/20 0.35
CETP P11597 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL15310088 0.93 S1PR1 (0.61) S1PR1POLBLMNAGAALDHA
SCHEMBL15310255 0.92 S1PR1 (0.72) S1PR1POLBLMNAKMT2AEGFR
SCHEMBL15310089 0.91 S1PR1 (0.61) S1PR1POLBLMNAGAALDHA
SCHEMBL15310137 0.88 S1PR1 (0.53) S1PR1POLBLMNAGAANPC1
SCHEMBL15310183 0.88 S1PR1 (0.70) S1PR1POLBLMNAEGFRBTK
SCHEMBL15310217 0.88 S1PR1 (0.59) S1PR1POLBNPC1RAB9AKMT2A
SCHEMBL15310002 0.88 S1PR1 (0.52) S1PR1POLBLMNAGAATP53
SCHEMBL15310087 0.87 S1PR1 (0.63) S1PR1POLBLMNAGAALDHA
SCHEMBL15309990 0.84 S1PR1 (0.48) S1PR1POLBLMNAGAANPC1
SCHEMBL15310033 0.84 S1PR1 (0.50) S1PR1POLBLMNAGAARAB9A

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