SCHEMBL4454173

SCHEMBL4454173

CCCCc1cccc(POC2CC2)c1CCCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.33
ALOX5 P09917 1/20 0.33
BCHE P06276 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
PPARA Q07869 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
SCHEMBL4451710 0.94 ALOX5 (0.32) PTGS2ALOX5BCHE
SCHEMBL4451816 0.88 HTR2A (0.30)
SCHEMBL4454847 0.83
SCHEMBL4452258 0.82 PTGS2 (0.36) PTGS2ALOX5LIPGPPARA
SCHEMBL4452174 0.80 PTGS2 (0.41) PTGS2ALOX5LIPGPPARA
SCHEMBL4452177 0.78 PTGS2 (0.36) PTGS2ALOX5LIPGPPARA
SCHEMBL4455062 0.78 ALOX5 (0.36) PTGS2ALOX5LIPGPPARA
SCHEMBL4446484 0.75 LTA4H (0.36) PTGS2ALOX5LIPGPPARA
SCHEMBL27932041 0.75 LIPG (0.37) PTGS2ALOX5LIPGPPARA
SCHEMBL27931973 0.74 BCHE (0.38) PTGS2ALOX5BCHELIPG

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed