SCHEMBL514167

SCHEMBL514167

[CH2]OCc1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.58
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
IDO1 P14902 1/20 0.46
KCNH2 Q12809 1/20 0.44
MAOB P27338 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PARP10 Q53GL7 1/20 0.40
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL2355646 0.79 AGXT (0.58) AGXTCA1CA2CA9IDO1
SCHEMBL29123135 0.79 AGXT (0.38) AGXTCA2IDO1MAOBTDP1
SCHEMBL2094808 0.79 TP53 (0.43) AGXTCA2CYP2A6TAAR1TDP1
SCHEMBL3161372 0.78 AGXT (0.64) AGXTCA1CA2CA9IDO1
SCHEMBL958300 0.78 AGXT (0.64) AGXTCA1CA2CA9IDO1
SCHEMBL9617939 0.78 AGXT (0.64) AGXTCA1CA2CA9IDO1
SCHEMBL12378 0.76 AGXT (0.61) AGXTCA1CA2CA9IDO1
Lithium SCHEMBL585057 0.76 AGXT (0.61) AGXTCA1CA2CA9IDO1
Potassium SCHEMBL586332 0.76 AGXT (0.61) AGXTCA1CA2CA9IDO1
SCHEMBL9068656 0.76 IDO1 (0.56) CA1CA2CA9IDO1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-112154167-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-12-29 CN disclosed
CN-111315828-A Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2020-06-19 CN disclosed
WO-2020021969-A1 COMPOSITION, CURED PRODUCT, OPTICAL FILTER, AND PRODUCTION METHOD FOR CURED PRODUCT 株式会社ADEKA 2020-01-30 WO disclosed
EP-2617578-B1 HEAT-SENSITIVE CHROMOGENIC COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL FORMED USING SAID COMPOSITION YAMAMOTO CHEMICALS INC (JP) 2015-02-25 EP disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
US-8888906-B2 Heat-sensitive color-developing composition and heat-sensitive recording material comprising the composition YAMAMOTO CHEMICALS, INC. (JP) 2014-11-18 US disclosed
WO-2014140626-A2 PROCESS FOR THE PREPARATION OF POLYSACCHARIDES THE UNIVERSITY OF MANCHESTER (GB) 2014-09-18 WO disclosed
EP-2617578-A1 HEAT-SENSITIVE CHROMOGENIC COMPOSITION AND HEAT-SENSITIVE RECORDING MATERIAL FORMED USING SAID COMPOSITION Yamamoto Chemicals, Inc. (JP) 2013-07-24 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed
EP-0746559-A1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES AS ANTIVIRALS The Regents of The University of Michigan (US) 1996-12-11 EP disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed
WO-1995023151-A1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES AS ANTIVIRALS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1995-08-31 WO disclosed
WO-1993013089-A1 MACROCYCLIC POLYETHER CARBOXYLIC ACIDS URBAN FRANK J (US) 1993-07-08 WO disclosed
US-4876367-A ANIMAL GROWTH REGULATORS PFIZER INC. (US) 1989-10-24 US disclosed
EP-0219091-B1 PYRAN DERIVATIVES AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1989-04-26 EP disclosed
US-4777270-A INCREASE EFFICIENCY OF FEED UTILIZATION IN RUMINANTS PFIZER INC. (US) 1988-10-11 US disclosed
EP-0219091-A2 Pyran derivatives and process for their preparation BASF Aktiengesellschaft (DE) 1987-04-22 EP disclosed