SCHEMBL9639481

SCHEMBL9639481

O=C(O)OC1(NC(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.55
CTSL P07711 4/20 0.55
CTSB P07858 3/20 0.55
CTSK P43235 4/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 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
SCHEMBL28744973 0.88 CTSS (0.52) CTSSCTSLCTSBCTSKCA12
SCHEMBL5678638 0.85 CTSS (0.54) CTSSCTSLCTSBCTSKCA12
SCHEMBL27827636 0.83 CTSS (0.52) CTSSCTSLCTSBCTSKCA12
SCHEMBL29845981 0.81 CTSS (0.58) CTSSCTSLCTSBCTSKCA12
SCHEMBL8981271 0.80 CTSS (0.67) CTSSCTSLCTSBCTSKCA12
SCHEMBL8981148 0.80 CTSS (0.67) CTSSCTSLCTSBCTSKCA12
SCHEMBL8981223 0.80 CTSS (0.67) CTSSCTSLCTSBCTSKCA12
SCHEMBL19054718 0.80 CTSS (0.60) CTSSCTSLCTSBCTSKCA12
Hydrochloric Acid SCHEMBL5601416 0.80 CTSS (0.57) CTSSCTSLCTSBCTSKCA12
SCHEMBL1839379 0.80 CTSS (0.67) CTSSCTSLCTSBCTSKCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349609-B1 AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE Dr. Willmar Schwabe GmbH & Co. (DE) 1992-08-05 EP disclosed
EP-0349609-A1 AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE Dr. Willmar Schwabe GmbH & Co. (DE) 1990-01-10 EP disclosed
WO-1989004310-A1 AMINOACID ESTERS, PROCESS FOR THEIR MANUFACTURE AND THEIR USE DR. WILLMAR SCHWABE GMBH & CO. (DE) 1989-05-18 WO disclosed
EP-0099056-B1 N-ACYL DERIVATIVES OF DIPEPTIDES, THEIR MANUFACTURE AND USE IN TREATING DISEASES, AND MEANS THEREFOR BASF Aktiengesellschaft (DE) 1987-09-30 EP disclosed
EP-0099056-A2 N-acyl derivatives of dipeptides, their manufacture and use in treating diseases, and means therefor BASF Aktiengesellschaft (DE) 1984-01-25 EP disclosed