SCHEMBL4084555

SCHEMBL4084555

CNc1c(C)c(C)cc(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.35
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL436385 0.82 RAPGEF4 (0.38) RAPGEF4ALDH1A1
SCHEMBL1131928 0.82 CYP3A4 (0.40) CYP3A4TSHRMAPK1ALDH1A1
SCHEMBL28843526 0.78 PGK1 (0.32)
SCHEMBL29196018 0.78 RAPGEF4 (0.50) RAPGEF4CYP3A4TSHRMAPK1
SCHEMBL9643643 0.73 RAPGEF4 (0.33) RAPGEF4
SCHEMBL4557600 0.73 CYP3A4 (0.35) RAPGEF4CYP3A4TSHRMAPK1
SCHEMBL4090689 0.73 CYP1A2 (0.33) RAPGEF4TSHRALDH1A1
SCHEMBL4093520 0.72
SCHEMBL4089661 0.71 TSHR (0.38) RAPGEF4TSHRALDH1A1
SCHEMBL13744812 0.71 CYP3A4 (0.40) RAPGEF4CYP3A4TSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103732632-B Method for producing olefin block polymer using Group 4 transition metal complex 住友化学株式会社 2017-07-07 CN disclosed
WO-2014149360-A1 MULTIPLE CATALYST SYSTEM COMPRISING METALLOCENES AND TRIDENTATE NITROGEN BASED LIGAND COMPLEXES FOR OLEFIN POLYMERISATION UNIVATION TECHNOLOGIES, LLC (US) 2014-09-25 WO disclosed
CN-103958548-A Method for producing olefin block polymer using plurality of types of transition metal catalysts SUMITOMO CHEMICAL CO 2014-07-30 CN disclosed
CN-101878236-B Ethylene-alpha-olefin copolymer and molded body SUMITOMO CHEMICAL CO 2014-05-07 CN disclosed
CN-103732632-A Method for producing olefin block polymer using group 4 transition metal complex SUMITOMO CHEMICAL CO 2014-04-16 CN disclosed
CN-101878237-B Ethylene-alpha-olefin copolymer and molded body SUMITOMO CO LTD 2013-04-24 CN disclosed
WO-2009104785-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed