SCHEMBL8378367

SCHEMBL8378367

CCCCSc1ccc(C(=O)Sc2ccc(N=C=S)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.37
PLK1 P53350 4/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
HPGD P15428 1/20 0.34
AR P10275 2/20 0.34
P2RY6 Q15077 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8378390 0.90 HSD17B10 (0.42) HSD17B10THRATHRBMAPTPLK1
SCHEMBL8376911 0.86 HSD17B10 (0.45) HSD17B10THRATHRBMAPTPLK1
SCHEMBL8382428 0.84 P2RY6 (0.45) HSD17B10THRATHRBMAPTP2RY6
SCHEMBL8382227 0.80 HSD17B10 (0.42) HSD17B10ARP2RY6
SCHEMBL19057513 0.79 HSD17B10 (0.47) HSD17B10THRATHRBMAPTMAOA
SCHEMBL9097679 0.78 ALDH1A1 (0.46) THRATHRBMAPTPLK1MAOA
SCHEMBL8378417 0.75 HSD17B10 (0.46) HSD17B10MAPTP2RY6
SCHEMBL8378450 0.75 HSD17B10 (0.46) HSD17B10MAPTP2RY6
Thiobenzoic Acid SCHEMBL8376915 0.74 HSD17B10 (0.41) HSD17B10THRATHRBMAPTPLK1
SCHEMBL9179325 0.72 HSD17B10 (0.41) HSD17B10THRATHRBPLK1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664825-B1 THIO-ESTER COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS SECR DEFENCE BRIT (GB) 1999-03-31 EP disclosed
US-5578242-A LIQUID CRYSTALS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE RESEARCH AGENCY (GB) 1996-11-26 US disclosed
EP-0664825-A1 THIO-ESTER COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND (GB) 1995-08-02 EP disclosed
WO-1994009085-A1 THIO-ESTER COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF THE DEFENCE RESEARCH AGENCY (GB) 1994-04-28 WO disclosed