SCHEMBL8921479

SCHEMBL8921479

N#CC(CSP(=O)(O)O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 5/20 0.44
ANPEP P15144 3/20 0.44
ACP3 P15309 2/20 0.42
CTSC P53634 4/20 0.41
CTSS P25774 4/20 0.39
CTSL P07711 3/20 0.39
CTSK P43235 3/20 0.39
CYP1A2 P05177 1/20 0.37
CTSB P07858 2/20 0.36

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
SCHEMBL8922306 0.85 CTSC (0.41) ACP3CTSCCYP1A2
SCHEMBL1343851 0.75 EPHX1 (0.48) ANPEPCTSCCTSSCTSKCYP1A2
SCHEMBL353200 0.72 TRPA1 (0.48) ANPEPCTSCCTSSCTSLCTSK
SCHEMBL4107089 0.71 LAP3 (0.55) LAP3ANPEPACP3CTSCCYP1A2
SCHEMBL11252980 0.69 CTSC (0.47) ANPEPCTSC
SCHEMBL31118140 0.69 CTSC (0.46) CTSCCTSSCTSK
SCHEMBL6681928 0.68 ALPL (0.47) LAP3ANPEPACP3CTSLCTSB
SCHEMBL10701497 0.67 EPHX1 (0.40) LAP3ANPEPCTSCCTSSCTSK
SCHEMBL11040175 0.67 CTSS (0.44) ANPEPCTSCCTSSCTSLCTSK
SCHEMBL2086061 0.66 TDP1 (0.40) ANPEPCTSCCTSSCTSKCYP1A2

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-5644048-A Process for preparing phosphorothioate oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
WO-1994019363-A1 PROCESS FOR PREPARING PHOSPHOROTHIOATE OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1994-09-01 WO disclosed
US-5210264-A S-(2,4-dichlorobenzyl)-β-cyanoethyl phosphorothioate diester ISIS PHARMACEUTICALS, INC. (US) 1993-05-11 US disclosed