SCHEMBL19912653

SCHEMBL19912653

COc1ccc(CS(=O)(=O)[C@@H]2CC(C(=O)N[C@H](CC(F)(F)F)C(C)C)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 20/20 0.54

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
SCHEMBL21104748 0.86 HTRA1 (0.62) HTRA1
SCHEMBL19912652 0.86 HTRA1 (0.62) HTRA1
SCHEMBL21099290 0.83 HTRA1 (0.55) HTRA1
SCHEMBL19914746 0.81 HTRA1 (0.44) HTRA1
SCHEMBL19899279 0.81 HTRA1 (0.44) HTRA1
SCHEMBL19912873 0.77 HTRA1 (0.42) HTRA1
SCHEMBL21059288 0.76 HTRA1 (0.66) HTRA1
SCHEMBL21059290 0.76 HTRA1 (0.66) HTRA1
SCHEMBL19899726 0.75 HTRA1 (0.60) HTRA1
SCHEMBL19899723 0.75 HTRA1 (0.60) HTRA1

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
WO-2018036957-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-03-01 WO disclosed