SCHEMBL4454814

SCHEMBL4454814

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.44
TSHR P16473 2/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.37
PTGS2 P35354 2/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL4462593 0.91 CETP (0.37) CETPTSHRPPARAPTGS2ALOX5
SCHEMBL777218 0.86 CETP (0.50) CETPTSHRPTGS2
SCHEMBL4455501 0.86 CETP (0.35) CETPTSHRPPARA
SCHEMBL4459849 0.86 PPARA (0.43) CETPTSHRPPARAPPARGPTGS2
SCHEMBL4453741 0.86 LTB4R (0.44) CETPTSHRPPARAPPARGPTGS2
SCHEMBL4454813 0.85 TSHR (0.39) TSHRPPARAPPARGPTGS2ALOX5
SCHEMBL4454429 0.84 GABRA1 (0.38) TSHR
SCHEMBL4448502 0.83 AOX1 (0.38) CETP
SCHEMBL2150379 0.81 GABRA1 (0.41) TSHR
SCHEMBL761162 0.81 INPPL1 (0.53)

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