SCHEMBL7769987

SCHEMBL7769987

CC(C)C[C@H](C=O)NC(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 8/20 0.48
CTSB P07858 4/20 0.44
ADAM17 P78536 2/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL7774217 1.00 CAPN1 (0.48) CAPN1CTSBADAM17CASP1
SCHEMBL3913553 0.83 CAPN1 (0.66) CAPN1CTSB
SCHEMBL6026500 0.83 CAPN1 (0.66) CAPN1CTSB
SCHEMBL1907361 0.83 CAPN1 (0.66) CAPN1CTSB
SCHEMBL7769978 0.83 ALOX5AP (0.44) CAPN1ADAM17
SCHEMBL5363846 0.83 CAPN1 (0.66) CAPN1CTSB
SCHEMBL3904669 0.83 CAPN1 (0.66) CAPN1CTSB
SCHEMBL3915375 0.79 CAPN1 (0.64) CAPN1CTSBADAM17
SCHEMBL3917869 0.79 CAPN1 (0.54) CAPN1CTSB
SCHEMBL3906737 0.79 ADAM17 (0.42) CAPN1CTSBADAM17

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
EP-1123919-A1 PROCESS FOR PRODUCING PEPTIDYL ALDEHYDES Senju Pharmaceutical Co., Ltd. (JP) 2001-08-16 EP disclosed