SCHEMBL10693075

SCHEMBL10693075

CCC(C)OC(=O)CCCc1cccc(-c2ccc(Oc3ccc(-c4ccc(Cl)cc4)cc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
FDFT1 P37268 2/20 0.40
AOC3 Q16853 2/20 0.39
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
SHMT1 P34896 1/20 0.38
SHMT2 P34897 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
FFAR1 O14842 2/20 0.38
MGLL Q99685 1/20 0.38
PTGS2 P35354 1/20 0.37
MMEL1 Q495T6 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL10693064 0.73 PPARG (0.46) MAPTFDFT1ACACBACACAPPARG
SCHEMBL10816471 0.70 FFAR1 (0.43) FDFT1PPARGFFAR4FFAR1MGLL
SCHEMBL27453997 0.70 AOC3 (0.47) AOC3SHMT1SHMT2
SCHEMBL10694760 0.68 MAOB (0.49) MAPT
SCHEMBL10694757 0.68 MAOB (0.49) MAPT
SCHEMBL10811351 0.67 FFAR1 (0.53) PPARAFFAR4FFAR1MGLL
SCHEMBL13092844 0.67 AOC3 (0.49) AOC3SHMT1SHMT2
SCHEMBL11163216 0.66 TSHR (0.51) PPARGPPARAFFAR1
SCHEMBL11507662 0.66 KMT2A (0.42) MAPTPPARGPPARA
SCHEMBL9514214 0.66 PPARG (0.54) MAPTFDFT1PPARGPPARAFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748185-A RODENTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-31 US disclosed