SCHEMBL9724975

SCHEMBL9724975

COC(=O)Cc1ccc(NC(=O)C(CS)Cc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
MME P08473 4/20 0.52
ALDH1A1 P00352 2/20 0.51
ACE P12821 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
ECE1 P42892 1/20 0.51
BLM P54132 1/20 0.51
NPEPPS P55786 1/20 0.51
KMT2A Q03164 1/20 0.51
KLK7 P49862 1/20 0.51

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
SCHEMBL9724783 0.85 KMT2A (0.62) MMEALDH1A1ACEMAPTKMT2A
SCHEMBL7271417 0.84 MME (0.65) HPGDMMEALDH1A1ACEMAPK1
SCHEMBL9724801 0.82 HPGD (0.56) HPGDALDH1A1MEN1KMT2AKLK7
Benzene SCHEMBL7278973 0.82 KLK7 (0.53) HPGDALDH1A1MAPTKMT2AKLK7
SCHEMBL9724811 0.81 MME (0.65) HPGDMMEALDH1A1ACEMAPK1
SCHEMBL7373900 0.81 CYP1A2 (0.56) HPGDMMEALDH1A1ACEMAPK1
SCHEMBL390864 0.80 MME (0.57) HPGDMMEALDH1A1ACEMAPK1
SCHEMBL9724827 0.80 MEN1 (0.59) HPGDMMEALDH1A1ACEMAPK1
SCHEMBL9724992 0.80 MME (0.57) HPGDMMEALDH1A1ACEMAPK1
SCHEMBL9724810 0.80 MME (0.54) HPGDMMEALDH1A1ACEMAPK1

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed