SCHEMBL9049398

SCHEMBL9049398

CC1(c2ccc(Sc3nccs3)cc2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.41
PDK1 Q15118 1/20 0.37
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
ALOX5 P09917 3/20 0.34
HTR7 P34969 1/20 0.33
TSHR P16473 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
SCHEMBL9047594 0.76 ALOX5 (0.31) ALOX5TSHR
SCHEMBL8363012 0.73 FBP1 (0.71) FBP1PDK1HTR7
SCHEMBL7378002 0.70 TSHR (0.37) TSHR
SCHEMBL9049842 0.70 HPGD (0.56) FBP1PDK1ALOX5
SCHEMBL5564912 0.70 FBP1 (0.71) FBP1PDK1HTR7TSHR
SCHEMBL9049060 0.70 ALOX5 (0.41) ALOX5TSHR
SCHEMBL10395762 0.69 FBP1 (0.47) FBP1PDK1HTR7TSHR
SCHEMBL24742132 0.69 SLC6A4 (0.39) TSHR
SCHEMBL2982080 0.69 FBP1 (0.52) FBP1PDK1HTR7
SCHEMBL9049175 0.68 ALOX5 (0.41) ALOX5

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-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
US-5482966-A LIPOXYGENASE ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 1996-01-09 US disclosed
US-5332757-A Enzyme inhibitors ZENECA LIMITED (GB) 1994-07-26 US disclosed
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed