SCHEMBL7030276

SCHEMBL7030276

CCNCCCC(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 3/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 2/20 0.46
KDM1A O60341 5/20 0.42
SAT1 P21673 3/20 0.39
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.30
CA2 P00918 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL19860476 0.95 CYP2C19 (0.48) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL5932839 0.89 ALDH1A1 (0.50) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL24474442 0.88 TSHR (0.50) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL22625620 0.88 ALDH1A1 (0.58) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL14139579 0.86 TSHR (0.54) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL7107029 0.83 CYP2C19 (0.43) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL18287006 0.82 ALDH1A1 (0.50) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL22019966 0.80 TSHR (0.46) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL21920454 0.78 TSHR (0.58) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL24918342 0.78 SAT1 (0.47) CYP2C19MEN1GLAKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1290002-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2003-03-12 EP disclosed
EP-1280600-A2 SUPPORTED CATALYST SYSTEM COMPRISING A METALLOCENE, A LEWIS-BASE AND AN ORGANODEMENTAL COMPOUND OF MAIN GROUP III, AND ITS USE Basell Polypropylen GmbH (DE) 2003-02-05 EP disclosed
EP-1250363-A2 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2002-10-23 EP disclosed
WO-2001090112-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-11-29 WO disclosed
WO-2001047635-A2 SUPPORTED CATALYST SYSTEM CONTAINING A METALLOCENE, A LEWIS BASE AND AN ELEMENTALLY ORGANIC COMPOUND OF MAIN GROUP III AND THE USE THEREOF BASELL POLYPROPYLEN GMBH (DE) 2001-07-05 WO disclosed
WO-2001048035-A2 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND ITS USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-07-05 WO disclosed