SCHEMBL7411452

SCHEMBL7411452

N[C@H](C=CS(=O)(=O)c1ccc2ccccc2c1)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.44
CTSS P25774 2/20 0.44
CTSH P09668 1/20 0.44
CTSK P43235 1/20 0.44
CTSC P53634 1/20 0.44
LMNA P02545 2/20 0.44
F2 P00734 1/20 0.43
CTSL P07711 1/20 0.40
CYP19A1 P11511 1/20 0.40
METAP2 P50579 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
TPSAB1 Q15661 2/20 0.39
ANPEP P15144 2/20 0.38
ERAP1 Q9NZ08 2/20 0.38

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
SCHEMBL7411443 1.00 CTSB (0.44) CTSBCTSSCTSHCTSKCTSC
SCHEMBL7411448 1.00 CTSB (0.44) CTSBCTSSCTSHCTSKCTSC
SCHEMBL7406161 0.85 CTSB (0.56) CTSBCTSSCTSHCTSKCTSC
SCHEMBL7406164 0.85 CTSB (0.56) CTSBCTSSCTSHCTSKCTSC
SCHEMBL7406168 0.85 CTSB (0.56) CTSBCTSSCTSHCTSKCTSC
Hydrochloric Acid SCHEMBL7362186 0.84 CTSB (0.55) CTSBCTSSCTSHCTSKCTSC
Hydrochloric Acid SCHEMBL7362196 0.84 CTSB (0.55) CTSBCTSSCTSHCTSKCTSC
Hydrochloric Acid SCHEMBL7362193 0.84 CTSB (0.55) CTSBCTSSCTSHCTSKCTSC
SCHEMBL8696147 0.76 CTSB (0.51) CTSBCTSSCTSHCTSKCTSC
SCHEMBL8696155 0.76 CTSB (0.51) CTSBCTSSCTSHCTSKCTSC

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-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed