SCHEMBL1088124

SCHEMBL1088124

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.54
SIRT2 Q8IXJ6 6/20 0.49
SIRT1 Q96EB6 5/20 0.49
CTSL P07711 5/20 0.49
SIRT3 Q9NTG7 3/20 0.49
F2 P00734 3/20 0.48
PRSS1 P07477 3/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48
SIRT5 Q9NXA8 3/20 0.48
CTSB P07858 2/20 0.47

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
SCHEMBL2193250 0.94 SSTR3 (0.57) SSTR3SIRT2SIRT1CTSLSIRT3
SCHEMBL30541917 0.91 SSTR3 (0.51) SSTR3SIRT2SIRT1CTSLSIRT3
SCHEMBL17289476 0.91 SIRT5 (0.55) SSTR3SIRT2SIRT1SIRT3F2
SCHEMBL2268022 0.89 SIRT5 (0.57) SSTR3SIRT2SIRT1SIRT3F2
SCHEMBL27319796 0.89 SSTR3 (0.52) SSTR3
SCHEMBL7106396 0.89 SSTR3 (0.52) SSTR3
SCHEMBL521932 0.89 SSTR3 (0.52) SSTR3
Hydrochloric Acid SCHEMBL10884941 0.89 SIRT5 (0.56) SSTR3SIRT2SIRT1SIRT3F2
Hydrochloric Acid SCHEMBL10943848 0.89 SIRT5 (0.56) SSTR3SIRT2SIRT1SIRT3F2
Hydrochloric Acid SCHEMBL566787 0.88 SSTR3 (0.51) SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153413-B2 High alkaline protease and use thereof JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2012-04-10 US disclosed
US-20110045570-A1 NOVEL HIGH ALKALINE PROTEASE AND USE THEREOF JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECH. (JP) 2011-02-24 US disclosed