SCHEMBL11247383

SCHEMBL11247383

Cc1c[n+](Cc2ccccc2)ccc1/C=C/c1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ ACHE P22303 3/20 0.38
▸ LMNA P02545 3/20 0.37
▸ CHKA P35790 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PPARG P37231 1/20 0.36
▸ KDM4A O75164 2/20 0.36
▸ KDM2A Q9Y2K7 2/20 0.36
▸ BCHE P06276 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL11247388 1.00 CHAT (0.50) CHATALDH1A1KDM4ERAB9AAPOBEC3A
SCHEMBL9875771 0.86 CHAT (0.56) CHATALDH1A1KDM4ERAB9AAPOBEC3A
SCHEMBL11244201 0.83 CHAT (0.46) CHATALDH1A1KDM4ERAB9AAPOBEC3A
SCHEMBL11244199 0.83 CHAT (0.46) CHATALDH1A1KDM4ERAB9AAPOBEC3A
SCHEMBL1899609 0.81 KDM4A (0.47) CHATALDH1A1KDM4ERAB9ALMNA
SCHEMBL4625276 0.81 KDM4A (0.47) CHATALDH1A1KDM4ERAB9ALMNA
SCHEMBL26092659 0.78 CHRM2 (0.46) CHATALDH1A1KDM4EACHELMNA
Bromide SCHEMBL30379563 0.77 CHRM2 (0.48) CHATALDH1A1KDM4EACHELMNA
SCHEMBL26092766 0.77 CHRM2 (0.43) CHATALDH1A1ACHELMNACHKA
Bromide SCHEMBL30378872 0.76 CHRM2 (0.45) CHATALDH1A1ACHECHKAKDM4A

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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