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Sugi Predict / Compounds / SCHEMBL4454813

SCHEMBL4454813

SCHEMBL4454813

CCCCP(=O)(Oc1cccc(CC)c1CC)Oc1cccc(CC)c1CC

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PPARA Q07869 2/20 0.35
▸ PPARG P37231 1/20 0.33

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
SCHEMBL4462591 0.90 GABRA1 (0.34) TSHRALOX5PTGS2
SCHEMBL777217 0.85 TSHR (0.45) TSHR
SCHEMBL4454814 0.85 CETP (0.44) TSHRALOX5PTGS2PPARAPPARG
SCHEMBL4453737 0.85 LTB4R (0.41) TSHRALOX5PTGS2PPARAPPARG
SCHEMBL4459847 0.85 ALOX5 (0.40) TSHRALOX5PTGS2PPARAPPARG
SCHEMBL4454426 0.83 GABRA1 (0.36) —
SCHEMBL761161 0.80 GABRA1 (0.39) —
SCHEMBL4446208 0.80 GABRA1 (0.39) TSHR
SCHEMBL4448709 0.79 PTGS2 (0.40) TSHRALOX5PTGS2PPARAPPARG
SCHEMBL4462593 0.78 CETP (0.37) TSHRALOX5PTGS2PPARA

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