SCHEMBL29857050

SCHEMBL29857050

CCN1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
ALDH1A1 P00352 6/20 0.62
MAPK1 P28482 5/20 0.62
RAB9A P51151 5/20 0.62
LMNA P02545 5/20 0.62
HTT P42858 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
HSP90AA1 P07900 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
ATM Q13315 2/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
POLB P06746 1/20 0.61
MDM2 Q00987 2/20 0.60
ACHE P22303 5/20 0.59
CYP1A2 P05177 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 2/20 0.55
MDM4 O15151 1/20 0.55

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
Dimethylamine SCHEMBL8376285 0.95 MAPT (0.58) MAPTALDH1A1MAPK1RAB9ALMNA
Diethylamine SCHEMBL8377307 0.92 MAPT (0.55) MAPTALDH1A1MAPK1RAB9ALMNA
SCHEMBL29857531 0.87 ALDH1A1 (0.64) MAPTALDH1A1MAPK1RAB9ALMNA
SCHEMBL16755572 0.85 MAPT (0.63) MAPTALDH1A1MAPK1RAB9ALMNA
SCHEMBL16769901 0.85 MAPT (0.63) MAPTALDH1A1MAPK1RAB9ALMNA
SCHEMBL16755571 0.85 MAPT (0.63) MAPTALDH1A1MAPK1RAB9ALMNA
SCHEMBL11725696 0.84 DRD3 (0.74) MAPTALDH1A1MAPK1RAB9ALMNA
SCHEMBL11725699 0.84 DRD3 (0.74) MAPTALDH1A1MAPK1RAB9ALMNA
SCHEMBL15562283 0.83 DRD3 (0.74) MAPTALDH1A1MAPK1RAB9ALMNA
SCHEMBL16769909 0.83 MAPT (0.62) MAPTALDH1A1MAPK1RAB9ALMNA

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-112972441-B Application of monocarbonyl curcumin compound in preparation of medicine for preventing and treating periodontitis 温州医科大学附属口腔医院 2022-08-23 CN disclosed