SCHEMBL11287472

SCHEMBL11287472

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(C)CSC(=O)C(C)(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
ACE P12821 7/20 0.41
REN P00797 4/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
LTA4H P09960 1/20 0.40
MAPT P10636 1/20 0.40
PEPD P12955 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH1 P35367 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CAPN1 P07384 2/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL11276976 0.89 KMT2A (0.48) KMT2AACERENKDM4EF2
SCHEMBL11326757 0.89 KMT2A (0.48) KMT2AACERENKDM4EF2
SCHEMBL683520 0.85 CMA1 (0.55) ACEACE2CMA1
SCHEMBL11271096 0.85 CMA1 (0.55) ACEACE2CMA1
SCHEMBL683120 0.83 SLC6A2 (0.52) ACECMA1
SCHEMBL683525 0.81 CMA1 (0.48) ACEACE2CMA1
SCHEMBL11278644 0.79 KMT2A (0.48) KMT2AACEMAPTCAPN1CTSB
SCHEMBL11090289 0.79 KMT2A (0.53) KMT2ACAPN1CTSB
SCHEMBL11280725 0.79 ITGB1 (0.43) ACERENKDM4EF2LMNA
SCHEMBL3189279 0.79 KMT2A (0.56) KMT2AF2LMNAMAPTCAPN1

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
EP-0007477-B1 1-(3-MERCAPTO-2-METHYLPROPANOYL)PROLYL AMINO ACID DERIVATIVES AND SALTS THEREOF, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 1982-04-28 EP disclosed
US-4248883-A ANTIHYPERTENSION AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1981-02-03 US disclosed
EP-0007477-A1 1-(3-Mercapto-2-methylpropanoyl)prolyl amino acid derivatives and salts thereof, processes for their preparation, and pharmaceutical compositions containing such compounds Dainippon Pharmaceutical Co., Ltd. (JP) 1980-02-06 EP disclosed