SCHEMBL9710339

SCHEMBL9710339

CCOC(=O)c1sccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA7 P43166 5/20 0.52
CA9 Q16790 5/20 0.52
CA14 Q9ULX7 5/20 0.52
ALDH1A1 P00352 3/20 0.50
PKM P14618 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
STAT1 P42224 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK8 P45983 1/20 0.50

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
SCHEMBL3053745 0.83 PKM (0.67) ALDH1A1PKMKMT2AMAPTMEN1
SCHEMBL5078857 0.81 TSHR (0.55) CA12CA1CA2CA7CA9
SCHEMBL13469238 0.81 PKM (0.50) CA12CA1CA2CA7CA9
SCHEMBL930157 0.80 ALDH1A1 (0.50) ALDH1A1PKMKMT2AMAPTMEN1
SCHEMBL20598702 0.80 ALDH1A1 (0.49) ALDH1A1PKMKMT2AMAPTMEN1
SCHEMBL14043705 0.80 NPC1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL6552892 0.80 MAPT (0.55) CA12CA1CA2CA7CA9
SCHEMBL240151 0.80 ALDH1A1 (0.49) ALDH1A1PKMKMT2AMAPTMEN1
SCHEMBL9588614 0.80 PKM (0.52) CA12CA1CA2CA7CA9
SCHEMBL3280235 0.79 KMT2A (0.76) ALDH1A1PKMKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992019612-A1 ANTIARTERIOSCLEROTIC AGENT, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF MEDEA RESEARCH S.R.L. (IT) 1992-11-12 WO claimed
CN-111146496-B Polymer electrolyte and lithium ion battery containing same 珠海冠宇电池股份有限公司 2021-07-13 CN disclosed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN disclosed
CN-111146496-A Polymer electrolyte and lithium ion battery containing same 珠海冠宇电池有限公司 2020-05-12 CN disclosed
WO-1992019612-A1 ANTIARTERIOSCLEROTIC AGENT, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF MEDEA RESEARCH S.R.L. (IT) 1992-11-12 WO disclosed
US-4962104-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-09 US disclosed
US-4329352-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1982-05-11 US disclosed
EP-0030688-A2 Piperidine derivatives of 3-hydroxy-thiophene-2-carboxylic acid esters, their preparation, and pharmaceutical preparations containing them BASF Aktiengesellschaft (DE) 1981-06-24 EP disclosed