SCHEMBL29690349

SCHEMBL29690349

CCc1cc(C(C)(C)C)cc(N=Cc2ccccc2O)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 5/20 0.52
MAPT P10636 4/20 0.52
HSD17B10 Q99714 3/20 0.52
ALOX15 P16050 2/20 0.52
USP2 O75604 2/20 0.52
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 2/20 0.48
KMT2A Q03164 4/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 2/20 0.44
ACHE P22303 1/20 0.44
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A2 P05177 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
SCHEMBL29690556 0.83 MAPT (0.56) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1228614 0.76 KDM4E (0.43) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1228618 0.76 KDM4E (0.43) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL12416829 0.76 CA12 (0.53) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL1229569 0.75 ALOX5 (0.42) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL16627924 0.74 SIRT2 (0.61) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL13292595 0.73 MAPT (0.50) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL28068440 0.72 CA12 (0.48) GAAALDH1A1KDM4EMAPTHSD17B10
Acetic Acid SCHEMBL1229091 0.72 ALDH1A1 (0.44) GAAALDH1A1KDM4EMAPTHSD17B10
SCHEMBL12324126 0.71 MAPT (0.56) GAAALDH1A1KDM4EMAPTHSD17B10

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-114585632-A Catalyst composition for the manufacture of cyclic carbonates from CO2 and olefins PTT全球化学股份有限公司 2022-06-03 CN disclosed