SCHEMBL8946305

SCHEMBL8946305

COc1ccc2[nH]c3c(c2c1)Cc1ccccc1-3

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.73
CA2 P00918 6/20 0.73
CA4 P22748 6/20 0.73
CA6 P23280 6/20 0.73
GSK3B P49841 4/20 0.66
CCNB2 O95067 3/20 0.66
CDK1 P06493 3/20 0.66
CCNB1 P14635 3/20 0.66
CCNB3 Q8WWL7 3/20 0.66
CDK5 Q00535 3/20 0.66
CDK5R1 Q15078 3/20 0.66
MDH2 P40926 1/20 0.56
KDM4E B2RXH2 5/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
DRD2 P14416 1/20 0.53

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
SCHEMBL2294178 0.89 CA1 (0.73) CA1CA2CA4CA6GSK3B
SCHEMBL1986184 0.88 MAPK10 (0.62) CA1CA2CA4CA6GSK3B
SCHEMBL1987531 0.85 CCNB2 (0.67) CA1CA2CA4CA6GSK3B
SCHEMBL9527027 0.85 CA1 (0.58) CA1CA2CA4CA6GSK3B
SCHEMBL2300747 0.84 CA1 (1.00) CA1CA2CA4CA6GSK3B
SCHEMBL30251048 0.81 CA1 (0.69) CA1CA2CA4CA6GSK3B
SCHEMBL4627835 0.81 CA1 (0.69) CA1CA2CA4CA6GSK3B
SCHEMBL5708478 0.81 CA1 (0.69) CA1CA2CA4CA6GSK3B
SCHEMBL1986560 0.80 CCNB2 (0.56) CA1CA2CA4CA6GSK3B
SCHEMBL5688972 0.80 GSK3B (1.00) GSK3BCCNB2CDK1CCNB1CCNB3

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 10 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
EP-3070108-A1 ETHYLENE/ALPHA-OLEFIN COPOLYMER HAVING EXCELLENT PROCESSABILITY LG Chem, Ltd. (KR) 2016-09-21 EP disclosed
EP-3040124-A1 METHOD FOR PRODUCING HYBRID-SUPPORTED METALLOCENE CATALYST LG Chem, Ltd. (KR) 2016-07-06 EP 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-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