SCHEMBL9679671

SCHEMBL9679671

CCc1cccc(CC)c1NC(=O)[C@H](Cc1ccccc1)NC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
PAM P19021 1/20 0.51
GNPAT O15228 1/20 0.51
PSMB8 P28062 2/20 0.48
PSMB11 A5LHX3 1/20 0.48
PSMD11 O00231 1/20 0.48
PSMD12 O00232 1/20 0.48
PSMD14 O00487 1/20 0.48
PSMA7 O14818 1/20 0.48
PSMD3 O43242 1/20 0.48
PSMC3 P17980 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMA1 P25786 1/20 0.48
PSMA2 P25787 1/20 0.48
PSMA3 P25788 1/20 0.48
PSMA4 P25789 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMA5 P28066 1/20 0.48
PSMB4 P28070 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
SCHEMBL9678826 0.85 CTSS (0.59) CTSSCTSKPAMGNPATPSMB8
SCHEMBL9679677 0.83 SOAT2 (0.57) CTSSCTSKPAMGNPATPSMB8
SCHEMBL14113860 0.79 CTSS (0.74) CTSSCTSKPAMGNPATSCN9A
Benzene SCHEMBL9851001 0.79 ANPEP (0.51) HTT
SCHEMBL23376600 0.78 CTSS (0.68) CTSSCTSKPAMGNPATTACR1
SCHEMBL13956933 0.78 CTSS (0.68) CTSSCTSKPAMGNPATTACR1
SCHEMBL4436239 0.78 CTSS (0.68) CTSSCTSKPAMGNPATTACR1
SCHEMBL1081111 0.77 GNPAT (0.73) CTSSCTSKPAMGNPAT
SCHEMBL6677690 0.77 GNPAT (0.73) CTSSCTSKPAMGNPAT
SCHEMBL5692056 0.77 GNPAT (0.73) CTSSCTSKPAMGNPAT

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-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed