SCHEMBL11007676

SCHEMBL11007676

CCOC(=O)CCC(C#N)(c1cc(OC)c(OC)c(OC)c1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ POLB P06746 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ABCB1 P08183 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
SCHEMBL11624146 0.82 TSHR (0.40) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL11381545 0.81 POLB (0.39) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL11625289 0.81 KDM4E (0.43) ALDH1A1KDM4ETSHRPOLBLMNA
SCHEMBL11003097 0.80 KMT2A (0.39) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL3919339 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL11628340 0.79 MAPT (0.39) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL11460905 0.79 GAA (0.46) ALDH1A1KDM4EKMT2ATSHRPOLB
SCHEMBL11381103 0.77 KCNA5 (0.40) ALDH1A1KDM4EHPGDTSHRPOLB
SCHEMBL11626066 0.76 POLB (0.41) ALDH1A1KDM4ETSHRPOLBLMNA
SCHEMBL11627896 0.75 TSHR (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A

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-4515791-A Substituted phenyl-1,2,4-triazolo[2,3-b]pyridazin-3(2H)ones as anti-asthma agents AMERICAN CYANAMID COMPANY (US) 1985-05-07 — — US disclosed
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