SCHEMBL7429627

SCHEMBL7429627

CC(=O)SCC(CC(C)C)C(=O)Nc1cc(C)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MME P08473 2/20 0.46
ACE P12821 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.38
TPMT P51580 1/20 0.37
LMNA P02545 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7436878 0.83 MME (0.55) MEN1KMT2AMMEACEPOLB
SCHEMBL7430189 0.83 CYP1A2 (0.50) MEN1KMT2AMMEACEHTT
SCHEMBL10438773 0.83 MME (0.57) MEN1KMT2AMMEACEHTT
SCHEMBL7433301 0.83 MEN1 (0.54) MEN1KMT2AMMEHTTNPSR1
Hydrochloric Acid SCHEMBL7440587 0.79 KMT2A (0.44) MEN1KMT2AMMEACEHTT
SCHEMBL9586499 0.75 MEN1 (0.43) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL7428361 0.72 CYP1A2 (0.48) MEN1KMT2AMMEACELMNA
SCHEMBL9585403 0.72 MEN1 (0.47) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL9586526 0.71 MEN1 (0.46) MEN1KMT2AHTTNPSR1LMNA
SCHEMBL7432955 0.71 MME (0.45) MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP claimed
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