SCHEMBL7434110

SCHEMBL7434110

COc1ccc(C(=O)O)cc1NC(=O)C(CS)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.53
POLB P06746 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAPK1 P28482 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
MME P08473 3/20 0.48
ACE P12821 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FOLH1 Q04609 1/20 0.47

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
SCHEMBL9724867 0.86 MME (0.54) MEN1KMT2AALDH1A1MAPK1MME
SCHEMBL7433938 0.85 PPARA (0.50) LTB4RPOLBMEN1KMT2AALDH1A1
SCHEMBL7434266 0.85 MME (0.57) MEN1KMT2AALDH1A1MAPK1MME
SCHEMBL7438709 0.83 MME (0.54) MEN1KMT2AALDH1A1MAPK1MME
SCHEMBL9456711 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1GAA
SCHEMBL7433690 0.82 MME (0.51) MEN1KMT2AALDH1A1MAPK1MME
SCHEMBL9724984 0.80 LMNA (0.61) POLBALDH1A1MAPK1MMEACE
SCHEMBL7238537 0.78 MAPK1 (0.59) LTB4RPOLBMEN1KMT2AHDAC1
SCHEMBL7440859 0.77 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPK1GAA
SCHEMBL390864 0.76 MME (0.57) MEN1KMT2AALDH1A1MAPK1MME

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
US-5179125-A Analgesics DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-01-12 US disclosed
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed