SCHEMBL8887573

SCHEMBL8887573

CC(C)CC(NC(=O)COc1ccccc1Cl)C(=O)NC(Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
PSMB5 P28074 2/20 0.42
PSMB1 P20618 1/20 0.42
PSMB2 P49721 1/20 0.42
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 2/20 0.41
CASP3 P42574 2/20 0.41
CASP7 P55210 2/20 0.41
CASP6 P55212 2/20 0.41
CASP8 Q14790 2/20 0.41
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
REN P00797 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL8683165 1.00 MEN1 (0.43) MEN1POLBKMT2APSMB5PSMB1
SCHEMBL7343248 0.92 POLB (0.45) MEN1POLBKMT2AALDH1A1HPGD
SCHEMBL7343264 0.92 POLB (0.45) MEN1POLBKMT2AALDH1A1HPGD
SCHEMBL7437142 0.91 HPGD (0.46) PSMB5PSMB1PSMB2PTPN1ALDH1A1
SCHEMBL7437151 0.91 HPGD (0.46) PSMB5PSMB1PSMB2PTPN1ALDH1A1
SCHEMBL7303784 0.90 ALDH1A1 (0.49) MEN1POLBKMT2APSMB5PSMB1
SCHEMBL7303797 0.90 ALDH1A1 (0.49) MEN1POLBKMT2APSMB5PSMB1
SCHEMBL7435258 0.89 GPR34 (0.47) MEN1POLBKMT2APSMB5PSMB1
SCHEMBL7435245 0.89 GPR34 (0.47) MEN1POLBKMT2APSMB5PSMB1
SCHEMBL7441573 0.88 POLB (0.40) MEN1POLBKMT2AALDH1A1CASP1

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-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed