SCHEMBL11337780

SCHEMBL11337780

CC(=O)CC(C)(S)C(=O)N[C@@H](CSC(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 8/20 0.35
▸ MME P08473 2/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20122455 0.84 ACE (0.48) ACEMMEACE2KDM4EMAPT
SCHEMBL11333708 0.77 ACE (0.34) ACEMMEACE2
SCHEMBL11337774 0.77 CPB2 (0.36) ACEMMEACE2KDM4EMAPT
SCHEMBL27191518 0.75 CPB2 (0.37) ACEMMEKDM4EMAPTTHRB
SCHEMBL27205923 0.75 CPB2 (0.37) ACEMMEKDM4EMAPTTHRB
Dacisteine SCHEMBL1814125 0.73 MAPT (0.55) ACEMMEKDM4EMAPTTHRB
Dacisteine SCHEMBL2402188 0.73 MAPT (0.55) ACEMMEKDM4EMAPTTHRB
SCHEMBL31234465 0.73 CPB2 (0.36) ACEMMEKDM4EMAPTTHRB
SCHEMBL11331818 0.71 ACE (0.43) ACEMMEACE2MAPTALDH1A1
SCHEMBL11198946 0.71 ACE (0.47) ACEMMEACE2

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-4255446-A SUPPRESSING LIVER DISORDERS SANTEN PHARMACEUTICAL CO. LTD. (JP) 1981-03-10 — — US claimed
US-4255446-A SUPPRESSING LIVER DISORDERS SANTEN PHARMACEUTICAL CO. LTD. (JP) 1981-03-10 — — US disclosed
Send feedback