SCHEMBL6872181

SCHEMBL6872181

COc1cc(C)c(/N=C2\CNC(=O)N2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
HPGD P15428 2/20 0.31
NQO2 P16083 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AGTR1 P30556 1/20 0.31
PDE7A Q13946 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 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
SCHEMBL6872187 1.00 PDE3B (0.47) PDE3BPDE3AHPGDNQO2KDM4E
SCHEMBL6671145 0.69 PDE3B (0.53) PDE3BPDE3AALDH1A1PDE7ACA12
SCHEMBL6434244 0.64 ALDH1A1 (0.36) HPGDKDM4EALDH1A1CYP3A4
SCHEMBL6434245 0.64 ALDH1A1 (0.36) HPGDKDM4EALDH1A1CYP3A4
SCHEMBL293099 0.64 PDE3B (0.77) PDE3BPDE3AALDH1A1PDE7ACA12
SCHEMBL7907684 0.63 PDE3B (0.30) PDE3BPDE3A
SCHEMBL6430032 0.62 CYP19A1 (0.36) HPGDNQO2KDM4EALDH1A1LMNA
SCHEMBL6430034 0.62 CYP19A1 (0.36) HPGDNQO2KDM4EALDH1A1LMNA
SCHEMBL10906204 0.60 ALDH1A1 (0.40) HPGDNQO2KDM4EALDH1A1LMNA
SCHEMBL25648918 0.60 PKM (0.41) PDE3BPDE3AALDH1A1CYP3A4

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
US-6822062-B2 FOR USE IN ADDITION POLYMERIZATION OF OLEFINS EASTMAN CHEMICAL COMPANY 2004-11-23 US disclosed
US-20040029720-A1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY 2004-02-12 US disclosed
US-6660677-B1 Supported group 8-10 transition metal olefin polymerization catalysts EASTMAN CHEMICAL COMPANY 2003-12-09 US disclosed
US-20020058768-A1 Supported group 8-10 transition metal Olefin polymerization catalysts E. I. DU PONT DE NEMOURS AND COMPANY 2002-05-16 US disclosed
US-6303720-B1 E.G., NICKEL COMPLEX OF 2,3-BIS(2,6-DIMETHYLPHENYLIMINO)-(1,4)-DITHIANE EASTMAN CHEMICAL COMPANY 2001-10-16 US disclosed
US-6103658-A Olefin polymerization catalysts containing group 8-10 transition metals, processes employing such catalysts and polymers obtained therefrom EASTMAN CHEMICAL COMPANY (US) 2000-08-15 US disclosed