SCHEMBL7316163

SCHEMBL7316163

C[C@H](N)C(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.61
CTSC P53634 7/20 0.57
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CTSH P09668 1/20 0.49
CYP2D6 P10635 1/20 0.49
CTSK P43235 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CTSL P07711 1/20 0.47
MAPK1 P28482 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45

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
SCHEMBL7316156 1.00 CTRB1 (0.61) CTRB1CTSCCYP3A4CYP1A2CTSH
SCHEMBL9143156 1.00 CTRB1 (0.61) CTRB1CTSCCYP3A4CYP1A2CTSH
SCHEMBL27602044 1.00 CTRB1 (0.61) CTRB1CTSCCYP3A4CYP1A2CTSH
SCHEMBL3710225 0.94 CTRB1 (0.56) CTRB1CTSCCYP3A4CYP1A2CTSH
SCHEMBL1795838 0.90 CTSL (0.60) CTRB1CTSKCTSL
SCHEMBL5323913 0.88 CTSC (0.55) CTRB1CTSCCYP3A4CYP1A2CTSH
SCHEMBL2574907 0.86 CTRB1 (0.50) CTRB1CTSCNPC1RAB9A
SCHEMBL2574911 0.86 CTRB1 (0.50) CTRB1CTSCNPC1RAB9A
SCHEMBL583122 0.86 CTSC (0.76) CTSCCYP3A4CYP1A2CTSHCYP2D6
SCHEMBL1691349 0.86 CTSC (0.76) CTSCCYP3A4CYP1A2CTSHCYP2D6

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP claimed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US claimed
US-4980343-A Inhibit colon and rectal tumors BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US claimed
EP-0365956-A2 Carcinostatic agents BAYER AG (DE) 1990-05-02 EP claimed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP claimed
US-4314936-A BY MEASUREM,ENT OF FLUORESENCE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1982-02-09 US claimed
US-5468480-A Active against N-A-benzoyl-DL-arginine p-nitroanilide THE BOOTS COMPANY PLC (GB) 1995-11-21 US disclosed
US-5380656-A Chymopapain and method of purifying it on an inhibitory dipeptide affinity column THE BOOTS COMPANY PLC (GB) 1995-01-10 US disclosed
EP-0470136-B1 THERAPEUTIC AGENT BOOTS CO PLC (GB) 1994-06-22 EP disclosed
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
US-5158936-A Treating or prevention of tissue damage, inflammation, bone resporpption and muscular dystrophy SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0470136-A1 THERAPEUTIC AGENT. BOOTS CO PLC (GB) 1992-02-12 EP disclosed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed
US-4656269-A RENIN INHIBITORY EFFECT WHEN ADMINISTERING ORALLY; HYPOTENSIVE AGENTS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1987-04-07 US disclosed
EP-0216539-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1987-04-01 EP disclosed
EP-0206807-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-12-30 EP disclosed
EP-0200406-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-11-05 EP disclosed
EP-0190891-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-08-13 EP disclosed
US-4314936-A BY MEASUREM,ENT OF FLUORESENCE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1982-02-09 US disclosed