SCHEMBL11333079

SCHEMBL11333079

CCCCCCCCCCCC[N+](CCCO)(CCCO)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 2/20 0.60
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HTT P42858 2/20 0.57
▸ SLC22A1 O15245 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ PSMD14 O00487 1/20 0.41

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
SCHEMBL27172705 0.93 DNM1 (0.60) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL27172704 0.93 DNM1 (0.60) DNM1MEN1KMT2ATP53SMN1; SMN2
Benzoxonium SCHEMBL3939819 0.93 DNM1 (0.60) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL25330890 0.92 MEN1 (0.61) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL10717901 0.92 MEN1 (0.61) DNM1MEN1KMT2ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL29742981 0.92 MEN1 (0.61) DNM1MEN1KMT2ATP53SMN1; SMN2
Benzoxonium SCHEMBL225516 0.92 MEN1 (0.61) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL15889250 0.91 DNM1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL15889265 0.91 DNM1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL1520508 0.91 DNM1 (0.70) DNM1MEN1KMT2ATP53SMN1; SMN2

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-4260812-A Process for the preparation of halogen butenyl acrylates BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 — — US disclosed
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