SCHEMBL9556283

SCHEMBL9556283

CCC(O)CC(O)C(CC1CCCCC1)N(C(=O)[C@@H](N)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](CCCCNC(=S)NC)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSE P14091 7/20 0.55
▸ CTSD P07339 6/20 0.55
▸ PGC P20142 1/20 0.55
▸ REN P00797 15/20 0.44
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PGA5 P0DJD9 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ ALOX12 P18054 1/20 0.35

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
SCHEMBL9556000 0.81 REN (0.46) CTSECTSDPGCRENALDH1A1
SCHEMBL7315594 0.79 REN (0.45) CTSECTSDPGCRENMEN1
SCHEMBL7322193 0.75 REN (0.38) CTSECTSDRENLMNASMN1; SMN2
SCHEMBL7329311 0.73 ALDH1A1 (0.53) CTSECTSDPGCRENMAPT
SCHEMBL7320803 0.67 REN (0.57) CTSECTSDPGCRENPGA5
SCHEMBL7354500 0.60 LMNA (0.60) MAPTMEN1ALDH1A1LMNAHTT
SCHEMBL7323392 0.60 MEN1 (0.52) RENMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4795306 0.59 CTSS (0.53) MEN1ALDH1A1LMNAKMT2AKDM4E
SCHEMBL10373796 0.59 ALDH1A1 (0.45) MAPTMEN1ALDH1A1LMNAHTT
SCHEMBL7319330 0.58 ALDH1A1 (0.53) MAPTMEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198426-A RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1993-03-30 — — US disclosed
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