SCHEMBL8310042

SCHEMBL8310042

CCCCOc1ccc(CC2SC(=S)NC2=O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.56
PTPN1 P18031 2/20 0.53
MAPT P10636 4/20 0.49
PDE4A P27815 2/20 0.49
MAPK1 P28482 2/20 0.49
PDE4D Q08499 2/20 0.49
LMNA P02545 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE3A Q14432 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TNF P01375 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE3B Q13370 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.42
FFAR1 O14842 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
SCHEMBL8309358 0.97 CA2 (0.52) CA2PTPN1MAPTPDE4AMAPK1
SCHEMBL29092314 0.85 PTPN1 (0.52) CA2PTPN1LMNAMEN1KMT2A
SCHEMBL29092535 0.82 PTPN1 (0.51) CA2PTPN1MAPTLMNAPDE4B
SCHEMBL8173780 0.81 CA2 (0.59) CA2PTPN1MAPTLMNAMEN1
SCHEMBL8178940 0.81 PTPN1 (0.56) CA2PTPN1LMNAMEN1KMT2A
SCHEMBL8172766 0.79 SIRT2 (0.68) CA2PTPN1MAPTPDE4AMAPK1
SCHEMBL8173333 0.76 CA2 (0.66) CA2PTPN1MEN1KMT2AFFAR1
SCHEMBL13846969 0.76 CA2 (0.49) CA2PTPN1MAPTPDE4BPDE3A
SCHEMBL2201214 0.76 CA2 (0.48) CA2PTPN1MEN1KMT2ASIRT2
SCHEMBL8182679 0.76 PTPN1 (0.79) CA2PTPN1MAPTMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901471-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-08-25 EP disclosed
EP-0915090-A1 Compounds useful as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1999-05-12 EP disclosed
EP-0901471-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1999-03-17 EP disclosed
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
WO-1997044321-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-11-27 WO disclosed
US-5661168-A ADMINISTERING RHODANINE DERIVATIVES TO CONTROL DIABETES ELI LILLY AND COMPANY (US) 1997-08-26 US disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
CN-1091006-A Chemical compound as blood sugar lowering and treatment degenerative brain disorder LILLY CO ELI (US) 1994-08-24 CN disclosed
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed