SCHEMBL8166016

SCHEMBL8166016

CC(C)CC(CS)C(=O)c1ccccc1NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.41
ALDH1A1 P00352 3/20 0.41
ACE P12821 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ECE1 P42892 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
NPEPPS P55786 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
AGTR1 P30556 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8074247 0.81 LARS1 (0.44) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL11819594 0.80 KDM4E (0.46) MMEALDH1A1ACEHPGDHSD17B10
SCHEMBL9716704 0.80 KDM4E (0.49) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL11800788 0.77 KDM4E (0.46) MMEALDH1A1ACEHPGDHSD17B10
SCHEMBL5967407 0.75 KDM4E (0.50) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL8166028 0.72 KDM4E (0.48) MMEALDH1A1ACEHPGDHSD17B10
SCHEMBL6303080 0.72 AGTR1 (0.44) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL690246 0.72 KDM4E (0.53) ALDH1A1HPGDHSD17B10MAPK1MEN1
SCHEMBL29620333 0.71 KDM4E (0.71) ALDH1A1HPGDHSD17B10MEN1MAPT
SCHEMBL341645 0.71 KDM4E (0.71) ALDH1A1HPGDHSD17B10MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US claimed
US-6048852-A BACTERICIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-11 US disclosed
EP-0900197-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997030027-A1 BETA-THIOPROPIONYL-AMINOACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-08-21 WO disclosed