SCHEMBL5855330

SCHEMBL5855330

[CH2]C(C)CCC=C(C)CC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.30
KDM1A O60341 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
SCHEMBL5855322 1.00 ALOX15 (0.34) ALOX15ALDH1A1TSHRKMT2AKDM1A
SCHEMBL108504 0.81 KDM1A (0.39) ALOX15ALDH1A1TSHRKMT2AKDM1A
SCHEMBL108503 0.81 KDM1A (0.39) ALOX15ALDH1A1TSHRKMT2AKDM1A
SCHEMBL27176381 0.81 KDM1A (0.39) ALOX15ALDH1A1TSHRKMT2AKDM1A
SCHEMBL11546006 0.79 ALOX15 (0.35) ALOX15ALDH1A1TSHRKMT2AKDM1A
SCHEMBL11546011 0.79 ALOX15 (0.35) ALOX15ALDH1A1TSHRKMT2AKDM1A
SCHEMBL9089394 0.79 ALDH1A1 (0.31) ALOX15ALDH1A1
SCHEMBL4370364 0.78 ALOX15 (0.32) ALOX15ALDH1A1
SCHEMBL30312269 0.78 ALDH1A1 (0.36) ALOX15ALDH1A1TSHR
SCHEMBL29518711 0.78 ALOX15 (0.32) ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763015-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS ARQULE, INC. (US) 1997-03-19 EP claimed
WO-1995032184-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS ARQULE, INC. (US) 1995-11-30 WO claimed
US-7034110-B2 Method of identifying chemical compounds having selected properties for a particular application ARQULE, INC. (US) 2006-04-25 US disclosed
US-6878557-B1 Logically ordered arrays of compounds and methods of making and using the same ARQULE, INC. (US) 2005-04-12 US disclosed
US-20040161610-A1 Method of identifying chemical compounds having selected properties for a particular application ARQULE, INC. 2004-08-19 US disclosed
EP-0804726-A4 A METHOD OF GENERATING A PLURALITY OF CHEMICAL COMPOUNDS IN A SPATIALLY ARRANGED ARRAY ARQULE INC (US) 2004-07-07 EP disclosed
US-6693168-B1 CATALYSTS FOR PREPARING CHIRAL AMINO ACIDS THE TRUSTEES OF BOSTON COLLEGE 2004-02-17 US disclosed
EP-0975584-B1 SYNTHESIS AND USE OF ALPHA-KETOAMIDE DERIVATIVES AND ARRAYS ARQULE INC (US) 2002-09-25 EP disclosed
US-6452050-B1 MONOACYLATION OF SUCH AS 4-AMINOBENZYLAMINE WITH METHYL-2-(2-BENZOTHIENYL)-2-OXOETHANOATE TO PRODUCE POTENTIAL INHIBITORS OF PROTEOLYTIC ENZYMES, PARTICULARLY CYSTEINE PROTEASES ARQULE, INC. 2002-09-17 US disclosed
US-6358750-B1 FOR COMBINATORIAL LIBRARIES; DRUG SCREENING ARQULE, INC. 2002-03-19 US disclosed
EP-1125937-A2 Spiro [Pyrrolidine-2,3'-oxindole] compounds and methods of use ARQULE, INC. (US) 2001-08-22 EP disclosed
EP-0115954-B1 BICYCLOOCTANE DERIVATIVES AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-19 EP disclosed
US-4680307-A Carbacyclin analogs SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-07-14 US disclosed
EP-0207598-A2 Prostaglandin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed
EP-0183177-A1 Unsaturated fatty acid derivatives and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-06-04 EP disclosed
EP-0139515-A2 Novel bicyclooctane compounds and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-02 EP disclosed
EP-0136779-A1 New carbacyclin derivatives, processes for their preparation and compositions containing them SANKYO COMPANY LIMITED (JP) 1985-04-10 EP disclosed
US-4496745-A Epoxycarbacyclin derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1985-01-29 US disclosed
EP-0115954-A2 Bicyclooctane derivatives and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP disclosed
US-4322435-A FOR THROMBOSIS SANKYO COMPANY LIMITED (JP) 1982-03-30 US disclosed