SCHEMBL11209259

SCHEMBL11209259

CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 12/20 0.60
CTSL P07711 2/20 0.60
CTSB P07858 2/20 0.60
LMNA P02545 1/20 0.60
CTSG P08311 1/20 0.60
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CAPN9 O14815 2/20 0.42
MAPK1 P28482 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
SCHEMBL11213032 0.99 CAPN1 (0.59) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10858698 0.90 CAPN1 (0.57) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10858704 0.90 CAPN1 (0.57) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10858709 0.90 CAPN1 (0.57) CAPN1CTSLCTSBLMNACTSG
SCHEMBL20628822 0.83 CAPN1 (0.47) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10861352 0.83 CAPN1 (0.54) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10861340 0.83 CAPN1 (0.54) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10861379 0.83 CAPN1 (0.54) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10855985 0.82 CAPN1 (0.60) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10855992 0.82 CAPN1 (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
US-4382889-A Epoxysuccinic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 US disclosed
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