SCHEMBL7437645

SCHEMBL7437645

O=C(O)CC1C(=O)N(C(CS)Cc2ccccc2)C(=O)N1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.41
TP53 P04637 2/20 0.38
MME P08473 1/20 0.37
KMT2A Q03164 5/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
MEN1 O00255 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
HSD11B1 P28845 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CHRM1 P11229 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL7438304 0.89 ACE (0.40) ACEMMEKMT2ACYP3A4CYP2C19
SCHEMBL7437652 0.80 KMT2A (0.40) ACETP53KMT2ACYP3A4CYP2C19
SCHEMBL7440453 0.74 MME (0.44) ACEMME
SCHEMBL7425886 0.73 HSD11B1 (0.44) TP53KMT2ACYP3A4CYP2C19MEN1
SCHEMBL7439232 0.73 PLA2G10 (0.39)
SCHEMBL7432526 0.72 HSD11B1 (0.46) TP53KMT2ACYP3A4CYP2C19MEN1
SCHEMBL7434177 0.70 HSD11B1 (0.38) ACEHSD11B1GAATSHRCHRM1
SCHEMBL7437844 0.69 HSD11B1 (0.38) HSD11B1GAATSHRCHRM1ALDH1A1
SCHEMBL7445423 0.69 TSHR (0.41) ACEKMT2AMEN1HSD11B1GAA
SCHEMBL7443198 0.68

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
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed