SCHEMBL12948754

SCHEMBL12948754

CC=CC(=O)/C=C/C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 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
SCHEMBL11999764 0.89 CYP1A2 (0.34) CYP1A2
SCHEMBL6446752 0.89 CYP1A2 (0.34) CYP1A2
SCHEMBL12922698 0.89 CYP1A2 (0.34) CYP1A2
SCHEMBL182830 0.80
SCHEMBL14599339 0.80
SCHEMBL2589699 0.80
SCHEMBL28588977 0.76 KEAP1 (0.30)
SCHEMBL17633955 0.73 CNR1 (0.33)
SCHEMBL12002047 0.73 CNR1 (0.33)
SCHEMBL7898886 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872029-B2 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states BOWEN J PHILLIP 2011-01-18 US disclosed