SCHEMBL7403180

SCHEMBL7403180

CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCOC(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 12/20 0.54
CTSL P07711 3/20 0.52
CTSB P07858 2/20 0.52
LMNA P02545 1/20 0.52
CTSG P08311 1/20 0.52
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL7406175 0.91 TSHR (0.57) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7405238 0.91 CAPN1 (0.53) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7407617 0.89 CAPN1 (0.52) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7402596 0.89 CAPN1 (0.55) CAPN1CTSLCTSBLMNACTSG
SCHEMBL9088881 0.88 CAPN1 (0.54) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7761860 0.87 CAPN1 (0.58) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7408113 0.87 CAPN1 (0.52) CAPN1CTSLCTSBLMNACTSG
SCHEMBL9088720 0.87 CAPN1 (0.53) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7405330 0.87 GAA (0.47) CAPN1CTSBLMNATSHRGAA
SCHEMBL7762766 0.86 CTSL (0.60) 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