SCHEMBL11244201

SCHEMBL11244201

CCc1cc[n+](Cc2ccccc2)cc1C=Cc1ccc(C=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 2/20 0.46
▸ ACHE P22303 3/20 0.37
▸ LMNA P02545 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CHKA P35790 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KDM4A O75164 2/20 0.35
▸ KDM2A Q9Y2K7 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34

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
SCHEMBL11244199 1.00 CHAT (0.46) CHATACHELMNAALDH1A1SMN1; SMN2
SCHEMBL9875771 0.90 CHAT (0.56) CHATACHELMNAALDH1A1SMN1; SMN2
SCHEMBL11247388 0.83 CHAT (0.50) CHATACHELMNAALDH1A1SMN1; SMN2
SCHEMBL11247383 0.83 CHAT (0.50) CHATACHELMNAALDH1A1SMN1; SMN2
SCHEMBL1899609 0.80 KDM4A (0.47) CHATLMNAALDH1A1SMN1; SMN2CHKA
SCHEMBL4625276 0.80 KDM4A (0.47) CHATLMNAALDH1A1SMN1; SMN2CHKA
SCHEMBL5304924 0.74 CHKA (0.49) ACHELMNAALDH1A1SMN1; SMN2CHKA
SCHEMBL1426439 0.74 ALDH1A1 (0.52) ACHELMNAALDH1A1SMN1; SMN2CHKA
Hydrochloric Acid SCHEMBL11483900 0.73 LMNA (0.51) ACHELMNAALDH1A1SMN1; SMN2CHKA
SCHEMBL31652036 0.71 ACHE (0.48) ACHELMNAALDH1A1SMN1; SMN2CHKA

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-4339524-A VINYL ACETATE, VINYL ALCOHOL ACETAL AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MINISTRY OF INTERNATIONAL TRADE AND INDUSTRY (JP) 1982-07-13 — — US disclosed
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