SCHEMBL6027698

SCHEMBL6027698

CC=C(C)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
PLK1 P53350 1/20 0.50
MMP3 P08254 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CDC25B P30305 2/20 0.46
PTPN1 P18031 1/20 0.46
PTK2B Q14289 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHFR P00374 1/20 0.43
KDR P35968 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
GMNN O75496 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL6027696 1.00 NR4A1 (0.52) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL6600967 0.83 NR4A1 (0.48) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL6600976 0.83 NR4A1 (0.48) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL9442849 0.80 NR4A1 (0.50) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL20942886 0.80 NR4A1 (0.50) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL11806980 0.80 NR4A1 (0.46) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL28947915 0.80 NR4A1 (0.46) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL20942883 0.80 NR4A1 (0.50) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL3255960 0.79 NR4A1 (0.58) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL66680 0.79 NR4A1 (0.58) NR4A1NR4A2NR4A3PLK1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103848941-A Polymerization initiator, modified-conjugated diene polymer and tire produced therefrom LG CHEMICAL LTD 2014-06-11 CN disclosed
US-6989036-B2 Reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGELLSCHAFT (DE) 2006-01-24 US disclosed
US-20040102616-A1 Novel reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
EP-1392777-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
WO-2002088257-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2002-11-07 WO disclosed
EP-0885897-B1 Optically active diphosphine ligands BASF AG (DE) 2002-08-21 EP disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
EP-0885897-A1 Optically active diphosphine ligands BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
US-4551502-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square platinous and equivalent organometallics HOWELL BOBBY A 1985-11-05 US disclosed
US-4470909-A USING A PHOSPHINE OXIDE AMERICAN CYANAMID COMPANY (US) 1984-09-11 US disclosed
US-4405757-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square planar platinous and equivalent organometallics HOWELL BOBBY A 1983-09-20 US disclosed