SCHEMBL8977652

SCHEMBL8977652

COC=C(C(=O)O)c1ccccc1CSC(=Nc1ncccn1)SC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
PKM P14618 1/20 0.33
CASP3 P42574 2/20 0.31
SENP8 Q96LD8 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
SENP6 Q9GZR1 2/20 0.31
TSHR P16473 2/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL8977645 1.00 ALDH1A1 (0.36) ALDH1A1GAAL3MBTL1PKMCASP3
SCHEMBL9333339 0.87 IDO1 (0.32) ALDH1A1PTGDR2IDO1
SCHEMBL9333334 0.87 IDO1 (0.32) ALDH1A1PTGDR2IDO1
SCHEMBL9333332 0.87 IDO1 (0.32) ALDH1A1PTGDR2IDO1
SCHEMBL8814742 0.85 IDO1 (0.33) ALDH1A1PTGDR2IDO1
SCHEMBL8814746 0.85 IDO1 (0.33) ALDH1A1PTGDR2IDO1
SCHEMBL8977709 0.84 NOS3 (0.36) ALDH1A1GAA
SCHEMBL8977711 0.84 NOS3 (0.36) ALDH1A1GAA
SCHEMBL8977706 0.84 NOS3 (0.36) ALDH1A1GAA
SCHEMBL8977680 0.82 ALDH1A1 (0.35) ALDH1A1GAAL3MBTL1NPC1MEN1

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
EP-0378308-B1 Acrylate fungicides AGREVO UK LTD (GB) 1996-04-10 EP disclosed
US-5332752-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-07-26 US disclosed