SCHEMBL6040458

SCHEMBL6040458

COc1cc(-c2cccs2)cc(OC)c1/C=C/C(=O)c1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 17/20 0.55
ERN1 O75460 1/20 0.48
ABCB1 P08183 1/20 0.46

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
SCHEMBL6040461 1.00 TNFRSF1A (0.55) TNFRSF1AERN1ABCB1
SCHEMBL6040786 0.85 TNFRSF1A (0.62) TNFRSF1AERN1
SCHEMBL6040783 0.85 TNFRSF1A (0.62) TNFRSF1AERN1
SCHEMBL6040716 0.80 TNFRSF1A (0.72) TNFRSF1A
SCHEMBL6040718 0.80 TNFRSF1A (0.72) TNFRSF1A
SCHEMBL6040703 0.80 TNFRSF1A (0.55) TNFRSF1A
SCHEMBL6040698 0.80 TNFRSF1A (0.55) TNFRSF1A
SCHEMBL30382753 0.80 TNFRSF1A (0.55) TNFRSF1A
SCHEMBL25219708 0.76 TNFRSF1A (0.49) TNFRSF1A
SCHEMBL31233349 0.76 TNFRSF1A (0.49) TNFRSF1A

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-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US claimed