SCHEMBL9268706

SCHEMBL9268706

Cc1[nH]c(=O)c(CCc2nc3ccccc3o2)cc1C(C)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
LOXL2 Q9Y4K0 1/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 0.39
APLNR P35414 1/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
ELANE P08246 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL9846349 0.91 MAPT (0.50) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL5573693 0.83 MAPT (0.54) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9681875 0.81 MAPT (0.37) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846167 0.80 MAPT (0.48) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846394 0.79 MAPT (0.49) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846184 0.78 MAPT (0.48) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9846193 0.78 MAPT (0.48) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9449230 0.76 MAPT (0.50) RAB9AMAPTNPC1LOXL2TP53
SCHEMBL9681865 0.74 C1R (0.39) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL9846095 0.73 MAPT (0.50) RAB9AMAPTNPC1LOXL2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5387512-A Incubating the compound 3-(2-benzoxazol-2-yl-ethyl)-5-ethyl-6-methyl-2-(1H)-pyridinone with liver tissue, oxidation to form a hydroxy group attenching ethyl branch MERCK & CO. INC. (US) 1995-02-07 US disclosed
US-5387512-A Incubating the compound 3-(2-benzoxazol-2-yl-ethyl)-5-ethyl-6-methyl-2-(1H)-pyridinone with liver tissue, oxidation to form a hydroxy group attenching ethyl branch MERCK & CO. INC. (US) 1995-02-07 US disclosed
US-5185251-A Treatment of HIV and AIDS MERCK & CO., INC. (US) 1993-02-09 US disclosed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed