SCHEMBL8385459

SCHEMBL8385459

COC(=O)C(C(=O)O)=C1SC=CS1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.50
PDE4D Q08499 1/20 0.50
TSHR P16473 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8531168 0.89 ADRA1A (0.61) ADRA1APDE4DALDH1A1
SCHEMBL11035882 0.83 ADRA1A (0.50) ADRA1APDE4DALDH1A1KDM4EMAPT
SCHEMBL2725876 0.79 ADRA1A (0.46) ADRA1APDE4D
SCHEMBL8055886 0.79 ADRA1A (0.82) ADRA1APDE4DTSHR
SCHEMBL9675143 0.77 ADRA1A (0.44) ADRA1APDE4D
SCHEMBL9745261 0.77 ADRA1A (0.45) ADRA1APDE4D
SCHEMBL9745480 0.77 ADRA1A (0.45) ADRA1APDE4D
SCHEMBL9673550 0.76 ADRA1A (0.47) ADRA1APDE4D
Water SCHEMBL9745436 0.75 ADRA1A (0.43) ADRA1APDE4D
SCHEMBL11700838 0.73 ADRA1A (0.53) ADRA1APDE4DTSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962509-A ANTIDIABETIC AGENTS SSP CO., LTD. (JP) 1999-10-05 US disclosed
EP-0909758-A1 Dithiolylidene acetamide derivatives SSP Co., Ltd. (JP) 1999-04-21 EP disclosed
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
US-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed
EP-0298040-B1 1,3-DITHIOL-2-YLIDENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1992-08-26 EP disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed
EP-0298040-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 EP disclosed