SCHEMBL7438304

SCHEMBL7438304

O=C(O)CCC1C(=O)N(C(CS)Cc2ccccc2)C(=O)N1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.40
MME P08473 3/20 0.36
HSD11B1 P28845 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 4/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
CHRM1 P11229 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7437645 0.89 ACE (0.41) ACEMMEHSD11B1CYP3A4CYP2C19
SCHEMBL7438308 0.81 KMT2A (0.39) ACEKMT2AMEN1ALDH1A1
SCHEMBL7440453 0.72 MME (0.44) ACEMME
SCHEMBL7425886 0.72 HSD11B1 (0.44) HSD11B1CYP3A4CYP2C19CYP2C9KMT2A
SCHEMBL7439232 0.71 PLA2G10 (0.39)
SCHEMBL7432526 0.71 HSD11B1 (0.46) HSD11B1CYP3A4CYP2C19CYP2C9KMT2A
SCHEMBL7437652 0.70 KMT2A (0.40) ACECYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL7435994 0.68 MME (0.41) ACEMMEKMT2AMEN1ALDH1A1
SCHEMBL7434177 0.68 HSD11B1 (0.38) ACEHSD11B1GAATSHRCHRM1
SCHEMBL7426519 0.68 MME (0.42) ACEMMEKMT2AGAATSHR

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