SCHEMBL7404688

SCHEMBL7404688

CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCCOC

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 14/20 0.76
CTSL P07711 3/20 0.76
CTSB P07858 3/20 0.76
LMNA P02545 2/20 0.76
CTSG P08311 1/20 0.76
CAPN9 O14815 3/20 0.54
MAPK1 P28482 2/20 0.54
CTSK P43235 2/20 0.51
CTSH P09668 1/20 0.51
CTSS P25774 1/20 0.51
CTSC P53634 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL25901104 0.93 CAPN1 (0.79) CAPN1CTSLCTSBLMNACTSG
SCHEMBL11209653 0.88 CAPN1 (0.78) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL12620387 0.86 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL18498407 0.86 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL254426 0.86 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
SCHEMBL25310949 0.86 CAPN1 (0.72) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL483320 0.86 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL21981208 0.86 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL21981210 0.86 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
SCHEMBL17771237 0.85 CAPN1 (0.73) CAPN1CTSLCTSBLMNACTSG

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-0763029-A1 EPOXYSUCCINIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-03-19 EP disclosed
WO-1995032954-A1 EPOXYSUCCINIC ACID DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-07 WO disclosed