SCHEMBL10835565

SCHEMBL10835565

CCCCOc1ccc(C(C)(C)COCc2ccc(F)c(Oc3ccccc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.46
FAAH O00519 2/20 0.40
PPARG P37231 3/20 0.38
ALOX5 P09917 1/20 0.38
PSEN1 P49768 1/20 0.38
CACNA1B Q00975 3/20 0.37
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
KAT6A Q92794 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
PPARA Q07869 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL10837234 0.98 LTA4H (0.48) LTA4HFAAHPPARGALOX5PSEN1
SCHEMBL9558298 0.96 LTA4H (0.40) LTA4HFAAHPPARGCACNA1BKAT6A
SCHEMBL10837573 0.92 TDP1 (0.38) LTA4HPPARGCACNA1BFFAR1
SCHEMBL10835349 0.92 SMN1; SMN2 (0.38) LTA4HPPARGCACNA1BFFAR1FFAR4
SCHEMBL9558590 0.91 LTA4H (0.43) LTA4HPPARGKAT6APPARAFFAR1
SCHEMBL10838214 0.91 TTR (0.37) LTA4HPPARGCACNA1BPPARAFFAR1
SCHEMBL10837117 0.90 NPC1 (0.38) LTA4HPPARGLPAR1LPAR5FFAR4
SCHEMBL10837161 0.89 LTA4H (0.36) LTA4HPPARGALOX5PSEN1LPAR1
SCHEMBL10753847 0.89 LTA4H (0.41) LTA4HFAAHPPARGALOX5PSEN1
SCHEMBL9558334 0.88 PPARG (0.39) LTA4HFAAHPPARGCACNA1BPPARA

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-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed