SCHEMBL9088985

SCHEMBL9088985

C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.57
CTSL P07711 4/20 0.48
CTSB P07858 3/20 0.48
LMNA P02545 1/20 0.48
CTSG P08311 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
TSHR P16473 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
SCHEMBL7765666 0.88 CAPN1 (0.59) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7761860 0.87 CAPN1 (0.58) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7762766 0.86 CTSL (0.60) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7765662 0.86 CTSL (0.60) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7763979 0.85 CAPN1 (0.77) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7202933 0.85 CAPN1 (0.64) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7402596 0.84 CAPN1 (0.55) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7355755 0.84 L3MBTL1 (0.42) CAPN1CTSLCTSBL3MBTL1CTSS
SCHEMBL11667610 0.84 CAPN1 (0.61) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7406064 0.84 CAPN1 (0.61) 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-5556853-A THIOL PROTEASE INHIBITORS, TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-17 US disclosed
EP-0655447-A1 Epoxysuccinic acid derivatives Takeda Chemical Industries, Ltd. (JP) 1995-05-31 EP disclosed