SCHEMBL9527337

SCHEMBL9527337

COc1c(C(C)(C)C)cc2[nH]c3c(c2c1C(C)(C)C)Cc1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.44
CA2 P00918 13/20 0.44
CA4 P22748 13/20 0.44
CA6 P23280 13/20 0.44
HIF1A Q16665 3/20 0.34
CCNB2 O95067 3/20 0.33
CDK1 P06493 3/20 0.33
CCNB1 P14635 3/20 0.33
GSK3B P49841 3/20 0.33
CCNB3 Q8WWL7 3/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33

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
SCHEMBL9528210 0.83 CA1 (0.46) CA1CA2CA4CA6CCNB2
SCHEMBL10382346 0.79 CA1 (0.39) CA1CA2CA4CA6
SCHEMBL8946827 0.76 CA1 (0.48) CA1CA2CA4CA6HIF1A
SCHEMBL9528764 0.72 CA1 (0.53) CA1CA2CA4CA6HIF1A
SCHEMBL8946264 0.68 CA1 (0.43) CA1CA2CA4CA6HIF1A
SCHEMBL8946440 0.66 CA1 (0.63) CA1CA2CA4CA6CCNB2
SCHEMBL2294178 0.66 CA1 (0.73) CA1CA2CA4CA6HIF1A
SCHEMBL8946305 0.66 CA1 (0.73) CA1CA2CA4CA6CCNB2
SCHEMBL9527328 0.65 CA1 (0.50) CA1CA2CA4CA6CCNB2
SCHEMBL9531330 0.64 CA1 (0.49) CA1CA2CA4CA6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5185360-A Antioxidants, free radical scavengers UNIVERSITY OF BATH (GB) 1993-02-09 US disclosed
EP-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed