SCHEMBL15310034

SCHEMBL15310034

COc1cccc(Oc2ncc3nc(-c4cc(C)c(OCC(=O)N5CCC[C@H]5C(=O)O)c(C)c4)oc3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.59
KMT2A Q03164 8/20 0.43
MEN1 O00255 6/20 0.43
PSMD14 O00487 1/20 0.40
DGAT1 O75907 1/20 0.39
CPT1A P50416 5/20 0.36
CPT2 P23786 2/20 0.36
CPT1B Q92523 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 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
SCHEMBL15310193 0.92 S1PR1 (0.72) S1PR1KMT2AMEN1CPT1ACPT2
SCHEMBL15310217 0.91 S1PR1 (0.59) S1PR1KMT2AMEN1CPT1ACPT2
SCHEMBL15309981 0.88 S1PR1 (0.52) S1PR1KMT2AMEN1PSMD14CPT1A
SCHEMBL14777535 0.87 S1PR1 (0.51) S1PR1KMT2AMEN1PSMD14CPT1A
SCHEMBL2224648 0.87 S1PR1 (0.51) S1PR1KMT2AMEN1PSMD14CPT1A
SCHEMBL15310089 0.87 S1PR1 (0.61) S1PR1KMT2AMEN1NPC1RAB9A
SCHEMBL15310087 0.85 S1PR1 (0.63) S1PR1KMT2AMEN1NPC1RAB9A
SCHEMBL15310091 0.84 S1PR1 (0.59) S1PR1KMT2AMEN1NPC1RAB9A
SCHEMBL14797011 0.84 S1PR1 (0.82) S1PR1KMT2AMEN1USP2ALDH1A1
SCHEMBL15310194 0.83 S1PR1 (0.71) S1PR1KMT2AMEN1CPT1ACPT2

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