SCHEMBL7438337

SCHEMBL7438337

CCCCS(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.64
CTSS P25774 1/20 0.64
CTSK P43235 1/20 0.64
MAPT P10636 2/20 0.61
TP53 P04637 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
CCKBR P32239 4/20 0.58
TACR1 P25103 2/20 0.57
ACE P12821 1/20 0.54
CCKAR P32238 2/20 0.52
REN P00797 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
SCHEMBL7990614 0.87 CTSL (0.71) CTSLCTSSCTSKMAPTTP53
SCHEMBL3806534 0.83 CTSL (0.72) CTSLCTSSCTSKMAPTTP53
SCHEMBL17807348 0.83 CTSL (0.80) CTSLCTSSCTSKMAPTTP53
SCHEMBL14300166 0.82 CTSL (0.76) CTSLCTSSCTSKMAPTTP53
SCHEMBL9025972 0.82 CTSL (0.76) CTSLCTSSCTSKMAPTTP53
SCHEMBL23656831 0.81 CTSL (0.74) CTSLCTSSCTSKMAPTTP53
SCHEMBL8233750 0.81 CTSL (0.74) CTSLCTSSCTSKMAPTTP53
SCHEMBL27871524 0.81 CTSL (0.76) CTSLCTSSCTSKMAPTTP53
SCHEMBL27902245 0.81 CTSL (0.76) CTSLCTSSCTSKMAPTTP53
SCHEMBL1003555 0.80 ACE (0.77) CTSLCTSSCTSKMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703106-A TREATING VARIOUS CARDIOVASCULAR, UROGENITAL, BRAIN DISORDERS JAPAT LTD. (CH) 1997-12-30 US disclosed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 WO disclosed