SCHEMBL2015398

SCHEMBL2015398

CC(CO)c1cc[c]c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
TRPA1 O75762 3/20 0.32

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
SCHEMBL1661090 0.79 ADRB2 (0.35)
SCHEMBL1661519 0.79 UGT2B7 (0.39)
SCHEMBL1661088 0.79 ADRB2 (0.35)
SCHEMBL1662054 0.79 ADRB2 (0.35)
SCHEMBL1031444 0.78 LMNA (0.35) TRPA1
SCHEMBL1068985 0.76 TRPV4 (0.31)
SCHEMBL3649949 0.71 TRPA1 (0.42) ABCB11TRPA1
SCHEMBL12891909 0.71 ABCB11 (0.49) ABCB11
SCHEMBL8653020 0.71 ABCB11 (0.49) ABCB11
SCHEMBL12284676 0.69 HDAC4 (0.44) ABCB11TRPA1

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
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP claimed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO claimed