SCHEMBL9720231

SCHEMBL9720231

CS(=O)(=O)OCCOCCOCC(COCCCCCCCCCCCCC1CCCCC1)Oc1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 7/20 0.31
ALOX5 P09917 2/20 0.31
PTGES O14684 2/20 0.31
PTGS2 P35354 1/20 0.31
PPARG P37231 1/20 0.31
PSEN1 P49768 1/20 0.31
HPGD P15428 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
SCHEMBL9716332 0.91
SCHEMBL9716400 0.89
SCHEMBL9720221 0.85 PLA2G2A (0.38)
SCHEMBL9720263 0.85 PLA2G2A (0.38)
SCHEMBL9720171 0.84 NAAA (0.33) NAAAPTGESHPGD
SCHEMBL9720198 0.80 PLA2G2A (0.39) HPGD
SCHEMBL9716384 0.76 PLA2G2C (0.33)
SCHEMBL9716406 0.76 TLR2 (0.33)
SCHEMBL10549500 0.74 MAPK14 (0.38) NAAA
SCHEMBL9716253 0.74 PLA2G2A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed