SCHEMBL10399167

SCHEMBL10399167

COc1ccc(C(=C/C=C/C(=O)NC(C)CCCc2cccnc2)c2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 20/20 1.00

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
SCHEMBL9523356 1.00 PTAFR (1.00) PTAFR
SCHEMBL10666740 1.00 PTAFR (1.00) PTAFR
SCHEMBL10398892 1.00 PTAFR (1.00) PTAFR
Water SCHEMBL9520312 0.99 PTAFR (0.98) PTAFR
SCHEMBL9520145 0.97 PTAFR (1.00) PTAFR
SCHEMBL10397725 0.97 PTAFR (1.00) PTAFR
SCHEMBL9519217 0.97 PTAFR (1.00) PTAFR
SCHEMBL9520084 0.94 PTAFR (0.89) PTAFR
SCHEMBL10398972 0.94 PTAFR (0.89) PTAFR
SCHEMBL9519531 0.92 PTAFR (0.87) PTAFR

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-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed