SCHEMBL11533155

SCHEMBL11533155

CCOC(=O)C(CC)(CC)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ CYP3A4 P08684 2/20 0.56
▸ BCHE P06276 2/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ MAOB P27338 9/20 0.56
▸ MAOA P21397 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP1B1 Q16678 3/20 0.50
▸ TNFRSF1A P19438 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ HSPE1 P61604 1/20 0.50
▸ PPARG P37231 2/20 0.49

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
SCHEMBL11533157 1.00 MAPT (0.63) MAPTRAB9AKMT2ANPC1CYP3A4
SCHEMBL11534879 0.87 MAPT (0.62) MAPTRAB9AKMT2ANPC1CYP3A4
SCHEMBL11534876 0.87 MAPT (0.62) MAPTRAB9AKMT2ANPC1CYP3A4
SCHEMBL11532183 0.87 MAPT (0.64) MAPTRAB9AKMT2ANPC1CYP3A4
SCHEMBL11534737 0.87 MAPT (0.64) MAPTRAB9AKMT2ANPC1CYP3A4
SCHEMBL11776508 0.78 MAPT (1.00) MAPTRAB9AKMT2ANPC1CYP3A4
SCHEMBL11776503 0.78 MAPT (1.00) MAPTRAB9AKMT2ANPC1CYP3A4
SCHEMBL11790650 0.77 MAOB (0.67) MAPTRAB9ACYP3A4MAOBMAOA
SCHEMBL30384212 0.77 MAPT (0.68) MAPTRAB9AKMT2ANPC1CYP3A4
SCHEMBL13904913 0.77 MAPT (0.64) MAPTRAB9AKMT2ANPC1CYP3A4

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-4163859-A ANTILIPEMIC, FUNGICIDES, BACTERICIDES G. D. SEARLE & CO. (US) 1979-08-07 — — US disclosed
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