SCHEMBL8955197

SCHEMBL8955197

CC(C)(C)OC(=O)[C@H](CCCN)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
TPSAB1 Q15661 1/20 0.55
SYK P43405 1/20 0.54
CTSL P07711 3/20 0.52
CTSS P25774 2/20 0.52
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
CTSK P43235 3/20 0.51
SIRT2 Q8IXJ6 2/20 0.51
SIRT1 Q96EB6 2/20 0.51
SIRT3 Q9NTG7 2/20 0.51
CTSB P07858 1/20 0.50
TLR2 O60603 2/20 0.49
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
DPP4 P27487 1/20 0.48

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
SCHEMBL27589883 1.00 PRSS1 (0.55) PRSS1PRSS2PRSS3TPSAB1SYK
SCHEMBL4514316 0.96 SIRT2 (0.55) PRSS1PRSS2PRSS3TPSAB1SYK
SCHEMBL28339600 0.96 SIRT2 (0.55) PRSS1PRSS2PRSS3TPSAB1SYK
Hydrochloric Acid SCHEMBL7692288 0.95 SIRT2 (0.54) PRSS1PRSS2PRSS3TPSAB1SYK
Hydrochloric Acid SCHEMBL8783156 0.95 SIRT2 (0.54) PRSS1PRSS2PRSS3TPSAB1SYK
SCHEMBL1022361 0.91 PRSS1 (0.52) PRSS1PRSS2PRSS3TPSAB1SYK
SCHEMBL2670570 0.91 CTSK (0.62) CTSLCTSSCTSKCTSB
Hydrochloric Acid SCHEMBL7974895 0.89 PPARA (0.53) PRSS1PRSS2PRSS3TPSAB1SYK
SCHEMBL18354663 0.89 SYK (0.55) SYKCTSLCTSSITGB3ITGA2B
SCHEMBL7222412 0.89 SYK (0.55) SYKCTSLCTSSITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164483-A Synthesis method of Cbz-arginine tert-butyl ester 吉尔生化(上海)有限公司 2023-12-05 CN claimed
CN-117164483-A Synthesis method of Cbz-arginine tert-butyl ester 吉尔生化(上海)有限公司 2023-12-05 CN disclosed
CN-117164483-A Synthesis method of Cbz-arginine tert-butyl ester 吉尔生化(上海)有限公司 2023-12-05 CN disclosed
EP-0707577-A4 HEME BINDING COMPOUNDS AND USE THEREOF WISCONSIN MED COLLEGE INC (US) 1996-11-06 EP disclosed
EP-0707577-A1 HEME BINDING COMPOUNDS AND USE THEREOF MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1996-04-24 EP disclosed
WO-1995013804-A1 S-ALKYL-ISOTHIOUREIDO-AMINO ACIDS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-05-26 WO disclosed
WO-1995001972-A1 HEME BINDING COMPOUNDS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-01-19 WO disclosed
US-5364881-A S-alkyl-isothioureido-amino acids and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1994-11-15 US disclosed