SCHEMBL7055828

SCHEMBL7055828

CCC(C)OC(=O)C(CCC#N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 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
SCHEMBL10925106 0.92 MAPT (0.35) SLC1A2MAPTTSHRMEN1KMT2A
SCHEMBL10365590 0.83 MAPT (0.38) MAPT
SCHEMBL8846572 0.81 TSHR (0.35) SLC1A2MAPTTSHRMEN1KMT2A
SCHEMBL335124 0.80 CHRM1 (0.41) SLC1A2MAPTFAAH
SCHEMBL7055006 0.79 MEN1 (0.46) SLC1A2TSHRMEN1KMT2A
SCHEMBL334795 0.78 MAPT (0.44) SLC1A2MAPTTSHRMEN1KMT2A
SCHEMBL7056636 0.77 CYP1A2 (0.45) SLC1A2MAPT
SCHEMBL6910766 0.77 CA2 (0.47) SLC1A2MAPTTSHRFAAH
SCHEMBL335608 0.77 MAPT (0.41) SLC1A2MAPTMEN1KMT2A
SCHEMBL3003297 0.77 MAPT (0.36) MAPTFAAH

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920104-A Preparation method for green synthesis of N-acetyl-5-methoxytryptamine 福建科宏生物工程股份有限公司 2021-06-08 CN disclosed
EP-1305407-A2 PREPARATION OF DICARBOXYLIC ACID MONOESTERS FROM CYANOCARBOXYLIC ACID ESTERS E. I. du Pont de Nemours and Company (US) 2003-05-02 EP disclosed
US-6455730-B1 CONTACTING CYANOPROPANOIC ACID METHYL ESTER WITH NITRILASE ISOLATED FROM ACIDOVORAX TO FORM BUTANEDIOIC ACID MONOMETHYL ESTER WITH NO PRODUCTION OF CYANOPROPIONIC ACID OR BUTANEDIOIC ACID E. I. DU PONT DE NEMOURS & COMPANY 2002-09-24 US disclosed
WO-2002012527-A2 PREPARATION OF DICARBOXYLIC ACID MONOESTERS FROM CYANOCARBOXYLIC ACID ESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO disclosed
EP-0112142-B1 PYRIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-06-20 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4863936-A 3,5-Substituted-2-pyridyl-alkylaminocyclobutenediones having histamine h1 -antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-09-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0134091-B1 PYRIMIDONE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-06-16 EP disclosed
US-4665078-A RHINITIS, HAY FEVER, ASTHMA, ECZEMA SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-05-12 US disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP disclosed
US-4210652-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-01 US disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 WO disclosed
US-4189488-A ANTIHISTAMINES AND GASTRIC ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-02-19 US disclosed
US-4185103-A ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-01-22 US disclosed
US-4156727-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-29 US disclosed
US-4154838-A ANTIHISTAMINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed
US-4154834-A HETEROCYCLIC-(THIO)ALKYLAMINO SUBSTITUTED-4-PYRIMIDONE OR -THIONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 US disclosed
US-4139624-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1979-02-13 US disclosed
US-4118502-A ANTIHISTAMINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-10-03 US disclosed