SCHEMBL8683167

SCHEMBL8683167

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 8/20 0.39
MAPT P10636 4/20 0.39
USP2 O75604 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7437147 0.92 HPGD (0.45) POLBALDH1A1MAPTUSP2HPGD
SCHEMBL7435252 0.89 ALDH1A1 (0.45) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL7441569 0.89 POLB (0.41) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL8887573 0.88 MEN1 (0.43) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL8683165 0.88 MEN1 (0.43) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL7343248 0.87 POLB (0.45) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL7343264 0.87 POLB (0.45) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL7301739 0.84 ALDH1A1 (0.43) POLBKMT2AALDH1A1MAPTUSP2
SCHEMBL7435127 0.83 PSMB1 (0.40) POLBALDH1A1PSMB1PSMB5PSMB2
SCHEMBL7312209 0.83 ALDH1A1 (0.36) POLBMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed