SCHEMBL7438992

SCHEMBL7438992

CCCCC(NC(=O)C(CC(C)C)NC(=O)COc1cccc(OC)c1)C(=O)CSCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
HPGD P15428 3/20 0.40
USP2 O75604 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 4/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
CASP6 P55212 3/20 0.39
CASP8 Q14790 3/20 0.39
CTSD P07339 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
ANPEP P15144 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL7438981 1.00 POLB (0.40) POLBHPGDUSP2ALDH1A1MAPT
SCHEMBL7431367 0.94 HPGD (0.42) POLBHPGDUSP2ALDH1A1MAPT
SCHEMBL7306949 0.94 HPGD (0.42) POLBHPGDUSP2ALDH1A1MAPT
SCHEMBL7314551 0.92 KMT2A (0.40) POLBHPGDUSP2ALDH1A1MAPT
SCHEMBL7314563 0.92 KMT2A (0.40) POLBHPGDUSP2ALDH1A1MAPT
SCHEMBL7302479 0.92 ALDH1A1 (0.48) POLBHPGDUSP2ALDH1A1MAPT
SCHEMBL7302463 0.92 ALDH1A1 (0.48) POLBHPGDUSP2ALDH1A1MAPT
SCHEMBL7439506 0.92 USP2 (0.39) POLBHPGDUSP2ALDH1A1MAPT
SCHEMBL7311889 0.92 USP2 (0.39) POLBHPGDUSP2ALDH1A1MAPT
SCHEMBL7438985 0.89 ALDH1A1 (0.40) POLBHPGDUSP2ALDH1A1MAPT

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
EP-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed