SCHEMBL7348355

SCHEMBL7348355

O=C(N[C@@H](CS)C(=O)NCc1ccccc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.61
FNTB P49356 1/20 0.61
CTRB1 P17538 2/20 0.59
CTSS P25774 5/20 0.58
CTSK P43235 5/20 0.58
CTSL P07711 4/20 0.58
CTSB P07858 3/20 0.58
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
PSMB1 P20618 1/20 0.54
TACR1 P25103 2/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 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
SCHEMBL7349085 0.93 FNTA (0.55) FNTAFNTBCTRB1CTSSCTSK
SCHEMBL7354219 0.93 CTSK (0.56) FNTAFNTBCTRB1CTSSCTSK
SCHEMBL29941583 0.88 CTRB1 (0.58) FNTAFNTBCTRB1CTSSCTSK
SCHEMBL1697358 0.88 CTSS (0.60) CTSSCTSKCTSLCTSBGAA
SCHEMBL7762796 0.88 CTSL (0.74) CTSSCTSKCTSLCTSBGAA
SCHEMBL2120048 0.88 CTSS (0.60) CTSSCTSKCTSLCTSBGAA
SCHEMBL8104485 0.87 CA5A (0.61) CTRB1CTSSCTSKCTSLCTSB
SCHEMBL7140209 0.86 CASP1 (0.60) CTSSCTSKCTSLCTSBGAA
SCHEMBL7351353 0.86 CTRB1 (0.62) CTRB1CTSSCTSKCTSLCTSB
SCHEMBL2233396 0.85 CA12 (0.71) CTSSCTSKCTSLCTSBGAA

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
EP-1034163-A1 NEW CYSTEINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICALS CONTAINING THEM Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. Berlin (DE) 2000-09-13 EP disclosed
WO-1998050351-A1 NEW CYSTEINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICALS CONTAINING THEM Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V., Berlin (DE) 1998-11-12 WO disclosed