SCHEMBL8946637

SCHEMBL8946637

Cc1cc(C)c2[nH]c3c(c2c1)Cc1ccccc1-3

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.54
CA2 P00918 10/20 0.54
CA4 P22748 10/20 0.54
CA6 P23280 10/20 0.54
CCNB2 O95067 2/20 0.44
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
GSK3B P49841 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
ABCB1 P08183 1/20 0.42
PARP1 P09874 4/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL8946893 0.83 CA1 (0.52) CA1CA2CA4CA6CCNB2
SCHEMBL9527581 0.80 CA1 (0.46) CA1CA2CA4CA6CCNB2
SCHEMBL9526921 0.80 CA1 (0.46) CA1CA2CA4CA6CCNB2
SCHEMBL9530865 0.79 CA1 (0.50) CA1CA2CA4CA6CCNB2
SCHEMBL9531330 0.78 CA1 (0.49) CA1CA2CA4CA6CCNB2
SCHEMBL30251048 0.78 CA1 (0.69) CA1CA2CA4CA6CCNB2
SCHEMBL4627835 0.78 CA1 (0.69) CA1CA2CA4CA6CCNB2
SCHEMBL12382594 0.75 CA1 (0.69) CA1CA2CA4CA6CCNB2
SCHEMBL6277979 0.71 PNMT (0.41) CA1CA2CA4CA6MAPT
SCHEMBL2298597 0.71 CA1 (1.00) CA1CA2CA4CA6CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed
WO-1990015800-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed