SCHEMBL11264797

SCHEMBL11264797

C=Cc1ccc(C(C)NC2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ TEAD1 P28347 2/20 0.43
▸ EPHX1 P07099 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ADRB2 P07550 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 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
SCHEMBL3665476 0.78 GAA (0.66) GAAL3MBTL1EPHX1ADRB2ALDH1A1
SCHEMBL3665297 0.78 GAA (0.96) GAAL3MBTL1EPHX1LMNAKMT2A
SCHEMBL21104687 0.78 GAA (0.96) GAAL3MBTL1EPHX1LMNAKMT2A
SCHEMBL3671016 0.78 GAA (0.96) GAAL3MBTL1EPHX1LMNAKMT2A
SCHEMBL28091017 0.78 GAA (0.96) GAAL3MBTL1EPHX1LMNAKMT2A
Hydrochloric Acid SCHEMBL28720089 0.76 GAA (0.93) GAAL3MBTL1EPHX1LMNAKMT2A
SCHEMBL2551362 0.76 GAA (0.68) GAAL3MBTL1EPHX1LMNAKMT2A
SCHEMBL3668041 0.75 GAA (1.00) GAAL3MBTL1EPHX1LMNAKMT2A
SCHEMBL22342837 0.75 GAA (0.62) GAAL3MBTL1EPHX1LMNAKMT2A
SCHEMBL9617575 0.73 ALDH1A1 (0.46) ADRB2ALDH1A1SMN1; SMN2NPC1RAB9A

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-4311799-A DIVINYLBENZENE, AMINOETHYLSTYRENE DERIVATIVE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-01-19 — — US disclosed
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