SCHEMBL9848827

SCHEMBL9848827

NC(=S)[C@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
TACR1 P25103 2/20 0.52
CTRB1 P17538 2/20 0.51
CTSL P07711 3/20 0.51
CTSS P25774 3/20 0.51
CTSB P07858 2/20 0.51
CASP1 P29466 3/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
KYNU Q16719 1/20 0.49
OPRK1 P41145 1/20 0.49

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
SCHEMBL9848836 0.88 CTSL (0.58) CTSKTACR1CTRB1CTSLCTSS
SCHEMBL295865 0.85 PPARA (0.57) CTSKTACR1CTRB1CTSLCTSS
SCHEMBL2677964 0.85 CTSK (0.57) CTSKTACR1CTRB1CTSLCTSS
SCHEMBL457686 0.85 PPARA (0.57) CTSKTACR1CTRB1CTSLCTSS
SCHEMBL201710 0.85 PPARA (0.57) CTSKTACR1CTRB1CTSLCTSS
SCHEMBL17446717 0.85 CTSK (0.57) CTSKTACR1CTRB1CTSLCTSS
SCHEMBL7032185 0.85 CTSK (0.57) CTSKTACR1CTRB1CTSLCTSS
SCHEMBL6984358 0.85 CTSK (0.69) CTSKCTSLCTSSCTSB
SCHEMBL10028352 0.84 ALDH1A1 (0.64) CTSKTACR1CTRB1CTSLCTSS
SCHEMBL13503284 0.84 ALDH1A1 (0.64) CTSKTACR1CTRB1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed