SCHEMBL7969195

SCHEMBL7969195

O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(C(=O)c3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 7/20 1.00
MMP13 P45452 3/20 0.80
MMP3 P08254 2/20 0.80
ADAMTS5 Q9UNA0 3/20 0.65
HPGD P15428 3/20 0.65
PTPN1 P18031 2/20 0.65
POLB P06746 1/20 0.65
MAOA P21397 1/20 0.65
MAOB P27338 1/20 0.65
MYC P01106 1/20 0.59
IL1RN P18510 1/20 0.59
ERAP1 Q9NZ08 1/20 0.59
PTGS2 P35354 1/20 0.58

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
SCHEMBL7969199 1.00 CTSD (1.00) CTSDMMP13MMP3ADAMTS5HPGD
SCHEMBL7968993 1.00 CTSD (1.00) CTSDMMP13MMP3ADAMTS5HPGD
SCHEMBL7968997 1.00 CTSD (1.00) CTSDMMP13MMP3ADAMTS5HPGD
SCHEMBL7969001 1.00 CTSD (1.00) CTSDMMP13MMP3ADAMTS5HPGD
SCHEMBL1248973 0.89 MMP13 (1.00) CTSDMMP13MMP3ADAMTS5HPGD
SCHEMBL1248974 0.89 MMP13 (1.00) CTSDMMP13MMP3ADAMTS5HPGD
SCHEMBL4050544 0.89 MMP13 (0.91) CTSDMMP13MMP3ADAMTS5HPGD
SCHEMBL12892045 0.89 MMP13 (1.00) CTSDMMP13MMP3ADAMTS5HPGD
SCHEMBL7968336 0.89 ADAMTS5 (0.81) CTSDMMP13MMP3ADAMTS5
SCHEMBL7968335 0.89 ADAMTS5 (0.81) CTSDMMP13MMP3ADAMTS5

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-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 EP disclosed