SCHEMBL7975149

SCHEMBL7975149

CCCc1cccc(COc2ccc(C=C3SC(=S)NC3=O)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.72
MMP3 P08254 1/20 0.72
ADAMTS5 Q9UNA0 3/20 0.62
CTSD P07339 8/20 0.62
POLB P06746 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
BLM P54132 1/20 0.60
NOD2 Q9HC29 1/20 0.60
HPGD P15428 1/20 0.58
PTPN1 P18031 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
GPR35 Q9HC97 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL7975146 1.00 MMP13 (0.72) MMP13MMP3ADAMTS5CTSDPOLB
SCHEMBL7968641 0.92 MMP13 (0.67) MMP13MMP3ADAMTS5CTSDPOLB
SCHEMBL7968637 0.92 MMP13 (0.67) MMP13MMP3ADAMTS5CTSDPOLB
SCHEMBL4049595 0.89 MMP3 (0.75) MMP13MMP3ADAMTS5CTSDPOLB
SCHEMBL7974643 0.89 MMP3 (0.75) MMP13MMP3ADAMTS5CTSDPOLB
SCHEMBL4049596 0.89 MMP3 (0.75) MMP13MMP3ADAMTS5CTSDPOLB
SCHEMBL4055509 0.87 MMP13 (0.76) MMP13MMP3ADAMTS5CTSDPOLB
SCHEMBL4055508 0.87 MMP13 (0.76) MMP13MMP3ADAMTS5CTSDPOLB
SCHEMBL7971966 0.86 MMP13 (0.77) MMP13MMP3ADAMTS5CTSDPOLB
SCHEMBL7971963 0.86 MMP13 (0.77) MMP13MMP3ADAMTS5CTSDPOLB

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