SCHEMBL8946440

SCHEMBL8946440

CC(C)(C)c1ccc2[nH]c3c(c2c1)Cc1ccccc1-3

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.63
CA2 P00918 10/20 0.63
CA4 P22748 10/20 0.63
CA6 P23280 10/20 0.63
MDH2 P40926 3/20 0.56
KIF11 P52732 2/20 0.55
CCNB2 O95067 4/20 0.50
CDK1 P06493 4/20 0.50
CCNB1 P14635 4/20 0.50
CCNB3 Q8WWL7 4/20 0.50
GSK3B P49841 3/20 0.50
CDK5 Q00535 3/20 0.50
CDK5R1 Q15078 3/20 0.50

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
SCHEMBL4627835 0.81 CA1 (0.69) CA1CA2CA4CA6MDH2
SCHEMBL30251048 0.81 CA1 (0.69) CA1CA2CA4CA6MDH2
SCHEMBL29370925 0.78 CA1 (1.00) CA1CA2CA4CA6CCNB2
SCHEMBL2298597 0.78 CA1 (1.00) CA1CA2CA4CA6CCNB2
SCHEMBL19353002 0.78 CA1 (0.69) CA1CA2CA4CA6CCNB2
SCHEMBL15759621 0.78 CDK1 (0.72) CA1CA2CA4CA6MDH2
SCHEMBL8946292 0.78 CA1 (0.71) CA1CA2CA4CA6CCNB2
SCHEMBL8946744 0.78 CA1 (0.63) CA1CA2CA4CA6KIF11
SCHEMBL7120806 0.78 KIF11 (0.51) CA1CA2CA4CA6MDH2
SCHEMBL8946305 0.78 CA1 (0.73) CA1CA2CA4CA6MDH2

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
US-20190085100-A1 HYBRID SUPPORTED METALLOCENE CATALYST AND POLYOLEFIN PREPARATION METHOD USING SAME (As Amended) LG CHEM, LTD. (KR) 2019-03-21 US disclosed
US-20180030180-A1 ETHYLENE/ALPHA-OLEFIN COPOLYMER HAVING EXCELLENT PROCESSABILITY AND SURFACE CHARACTERISTICS LG CHEM, LTD. (KR) 2018-02-01 US disclosed
US-9657119-B2 Preparation method of a supported metallocene catalyst LG CHEM, LTD. (KR) 2017-05-23 US disclosed
EP-3012261-A1 METALLOCENE COMPOUND, CATALYST COMPOSITION COMPRISING SAME, AND METHOD FOR PRODUCING OLEFIN POLYMER USING CATALYST COMPOSITION LG Chem, Ltd. (KR) 2016-04-27 EP disclosed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed
WO-1990015800-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed