SCHEMBL9725896

SCHEMBL9725896

C[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)O)C1Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CTSS P25774 2/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
ELANE P08246 2/20 0.50
CYP1A2 P05177 1/20 0.45
PREP P48147 2/20 0.45
ATM Q13315 1/20 0.44
CYP3A4 P08684 4/20 0.43
TSHR P16473 3/20 0.43

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
SCHEMBL7325702 0.89 ELANE (0.61) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10529734 0.89 ELANE (0.51) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10790451 0.88 CTSK (0.54) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10658214 0.87 CTSK (0.53) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10791828 0.83 ELANE (0.50) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10487578 0.80 CTSK (0.53) CTSKCTSLCTSBCTSSMEN1
SCHEMBL7323530 0.80 ELANE (0.69) CTSKCTSLCTSBCTSSMEN1
SCHEMBL20323002 0.79 MEN1 (0.69) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10795035 0.78 CTSK (0.50) CTSKCTSLCTSBCTSSMEN1
SCHEMBL7330509 0.77 CTSK (0.55) CTSKCTSLCTSBCTSSMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098892-A Angiotensin converting enzyme inhibitors as hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-03-24 US disclosed
US-4822818-A ANTIHYPERTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4474692-A L-Alanyl-N-(indan-2-yl)glycine, its esters and salts thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-02 US disclosed
EP-0051391-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-05-12 EP disclosed