SCHEMBL29174147

SCHEMBL29174147

COC(=O)CC(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNA1C Q13936 1/20 0.43
BRD4 O60885 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
FFAR1 O14842 1/20 0.41
GAA P10253 2/20 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
SCHEMBL2347309 0.84 HPGD (0.57) MAPTALDH1A1HPGDLMNAKCNA5
SCHEMBL28827835 0.83 MAPT (0.47) MAPTHTTALDH1A1ACHEL3MBTL1
SCHEMBL3519792 0.83 LMNA (0.50) MAPTALDH1A1L3MBTL1CNR1CNR2
SCHEMBL17875268 0.83 ACHE (0.61) MAPTHTTALDH1A1ACHEL3MBTL1
SCHEMBL17167378 0.81 ALDH1A1 (0.44) MAPTHTTALDH1A1ACHEL3MBTL1
SCHEMBL5045992 0.81 ALDH1A1 (0.44) MAPTHTTALDH1A1ACHEL3MBTL1
SCHEMBL13055885 0.81 MAPT (0.44) MAPTHTTALDH1A1ACHEL3MBTL1
SCHEMBL10877844 0.81 MAPT (0.44) MAPTHTTALDH1A1ACHEL3MBTL1
Hydrochloric Acid SCHEMBL8318524 0.80 MAPT (0.43) MAPTHTTALDH1A1ACHEL3MBTL1
Hydrochloric Acid SCHEMBL8318518 0.80 MAPT (0.43) MAPTHTTALDH1A1ACHEL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197036-B Method for performing anti-mahalanobis hydrogen carboxylation reaction on photocatalytic olefin compound and carbon dioxide 中国科学院理化技术研究所 2024-01-23 CN disclosed
CN-115197036-A Method for carrying out anti-Ma hydrocarboxylation reaction on olefin compound and carbon dioxide by photocatalysis 中国科学院理化技术研究所 2022-10-18 CN disclosed