SCHEMBL28830693

SCHEMBL28830693

C=C/C=C/c1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
APP P05067 2/20 0.32
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4629980 1.00 MAOB (0.36) MAOBAPPTRPA1ALDH1A1LMNA
SCHEMBL294613 0.91 APP (0.39) MAOBAPP
SCHEMBL294614 0.91 APP (0.39) MAOBAPP
SCHEMBL152100 0.78 MAOB (0.33) MAOBAPPTRPA1ALDH1A1LMNA
SCHEMBL210914 0.78 MAOB (0.33) MAOBAPPTRPA1ALDH1A1LMNA
SCHEMBL787790 0.75 ALDH1A1 (0.58) MAOBAPPTRPA1ALDH1A1LMNA
SCHEMBL93419 0.74 MAOB (0.68) MAOBTRPA1ALDH1A1LMNAALOX5
SCHEMBL4445282 0.74 ALDH1A1 (0.61) MAOBAPPTRPA1ALDH1A1LMNA
SCHEMBL33879 0.74 MAOB (0.68) MAOBTRPA1ALDH1A1LMNAALOX5
SCHEMBL4936136 0.74 MAOB (0.68) MAOBTRPA1ALDH1A1LMNAALOX5

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
CN-114957120-A Alkenyl homopiperidine compound and preparation method thereof 苏州大学 2022-08-30 CN disclosed