SCHEMBL7346557

SCHEMBL7346557

O=C(CCc1ccccc1)NC(Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.48
CMA1 P23946 2/20 0.48
ALDH1A1 P00352 8/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ACE P12821 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 1/20 0.43
PAX8 Q06710 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7346551 1.00 CTSG (0.48) CTSGCMA1ALDH1A1POLBRAB9A
SCHEMBL7301724 0.91 PSMB5 (0.47) CTSLCTSB
SCHEMBL7301731 0.91 PSMB5 (0.47) CTSLCTSB
SCHEMBL7301741 0.91 PSMB5 (0.47) CTSLCTSB
SCHEMBL7347976 0.89 ALDH1A1 (0.45) CTSGCMA1ALDH1A1POLBRAB9A
SCHEMBL7342545 0.86 PSMB5 (0.47) ALDH1A1POLBRAB9AHPGDSMN1; SMN2
SCHEMBL7342540 0.86 PSMB5 (0.47) ALDH1A1POLBRAB9AHPGDSMN1; SMN2
SCHEMBL7343844 0.86 HPGD (0.53) ALDH1A1POLBRAB9AHPGDSMN1; SMN2
SCHEMBL7312135 0.85 CTSG (0.46) CTSGCMA1SMN1; SMN2CTSLCTSB
SCHEMBL7312126 0.85 CTSG (0.46) CTSGCMA1SMN1; SMN2CTSLCTSB

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-0603873-B1 Aminoketone derivatives MITSUBISHI CHEM CORP (JP) 1998-04-15 EP disclosed
US-5424325-A Inibitors of thiol protease and may be used as therapeutic agents for treating muscular dystrophy, cataracts, strokes MITSUBISHI KASEI CORPORATION (JP) 1995-06-13 US disclosed
EP-0603873-A1 Aminoketone derivatives Mitsubishi Chemical Corporation (JP) 1994-06-29 EP disclosed