SCHEMBL7968931

SCHEMBL7968931

CCCCCCc1ccc(COc2ccc(C=C3SC(=S)NC3=O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.69
MMP13 P45452 1/20 0.69
CTSD P07339 5/20 0.63
HPGD P15428 4/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MYC P01106 1/20 0.59
MAX P61244 1/20 0.59
ADAMTS5 Q9UNA0 2/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GPR35 Q9HC97 1/20 0.57
PTPN1 P18031 2/20 0.56
CSNK2A2 P19784 1/20 0.56
CLK1 P49759 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
DYRK1A Q13627 1/20 0.56
DYRK1B Q9Y463 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
SCHEMBL7968927 1.00 MMP3 (0.69) MMP3MMP13CTSDHPGDNPC1
SCHEMBL4049839 0.99 MMP3 (0.71) MMP3MMP13CTSDHPGDNPC1
SCHEMBL4053583 0.99 MMP3 (0.71) MMP3MMP13CTSDHPGDNPC1
SCHEMBL7968119 0.96 MMP3 (0.72) MMP3MMP13CTSDHPGDNPC1
SCHEMBL7968122 0.96 MMP3 (0.72) MMP3MMP13CTSDHPGDNPC1
SCHEMBL4061306 0.92 MMP3 (0.72) MMP3MMP13CTSDHPGDNPC1
SCHEMBL7975038 0.91 MMP3 (0.75) MMP3MMP13CTSDHPGDNPC1
SCHEMBL4049596 0.91 MMP3 (0.75) MMP3MMP13CTSDHPGDNPC1
SCHEMBL7974643 0.91 MMP3 (0.75) MMP3MMP13CTSDHPGDNPC1
SCHEMBL4049595 0.91 MMP3 (0.75) MMP3MMP13CTSDHPGDNPC1

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