SCHEMBL11301644

SCHEMBL11301644

COC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 15/20 0.59
CTSB P07858 3/20 0.59
CAPN9 O14815 2/20 0.59
MAPK1 P28482 2/20 0.59
CTSL P07711 3/20 0.48
LMNA P02545 2/20 0.48
CTSG P08311 1/20 0.48
CTSK P43235 2/20 0.47
CTSH P09668 1/20 0.47
CTSS P25774 1/20 0.47
CTSC P53634 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL11209991 0.83 CAPN1 (0.55) CAPN1CTSBCTSLLMNACTSG
SCHEMBL11302620 0.80 CAPN1 (0.57) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL11208847 0.80 CAPN1 (0.69) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL25313974 0.79 CAPN1 (0.64) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL22517716 0.79 CAPN1 (0.67) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL25310945 0.76 CAPN1 (0.60) CAPN1CTSBCAPN9MAPK1CTSL
SCHEMBL11211366 0.74 CAPN1 (0.61) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL10750447 0.74 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL10933522 0.74 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL
E-64C SCHEMBL14067670 0.74 CAPN1 (1.00) CAPN1CTSBCAPN9MAPK1CTSL

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-4333879-A CALCIUM-ACTIVATED NEUTRAL THIOLPROTEASE INHIBITOR USED IN THE TREATMENT OF MUSCULAR DYSTROPHY TAISHO PHARMACEUTICAL CO., LTD. (JP) 1982-06-08 US disclosed