SCHEMBL8712470

SCHEMBL8712470

CCCCCOc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1OCCCCC

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.71
AKR1B1 P15121 3/20 0.68
PTPN1 P18031 1/20 0.66

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
SCHEMBL5219681 0.93 ADAMTS5 (0.84) ADAMTS5AKR1B1PTPN1
SCHEMBL5219686 0.93 ADAMTS5 (0.84) ADAMTS5AKR1B1PTPN1
SCHEMBL14901147 0.87 FABP4 (0.74) ADAMTS5AKR1B1PTPN1
SCHEMBL7142543 0.86 ADAMTS5 (0.80) ADAMTS5AKR1B1PTPN1
SCHEMBL7142541 0.86 ADAMTS5 (0.80) ADAMTS5AKR1B1PTPN1
SCHEMBL12008625 0.86 CTNNB1 (0.69) ADAMTS5
SCHEMBL12008627 0.86 APAF1 (0.66) ADAMTS5AKR1B1PTPN1
SCHEMBL10492195 0.86 MEN1 (0.65) ADAMTS5AKR1B1PTPN1
SCHEMBL10492192 0.86 MEN1 (0.65) ADAMTS5AKR1B1PTPN1
SCHEMBL12008416 0.86 CTNNB1 (0.75) ADAMTS5AKR1B1PTPN1

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
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US claimed
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed