SCHEMBL29249202

SCHEMBL29249202

COc1cc(C)ccc1[CH]c1ccc(C)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 1/20 0.48
CYP1A1 P04798 6/20 0.47
CYP1A2 P05177 6/20 0.47
CYP1B1 Q16678 6/20 0.47
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NFE2L2 Q16236 2/20 0.41
ERN1 O75460 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
SCHEMBL14678442 0.83 ACHE (0.56) ACHEALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL96209 0.83 ALDH1A1 (0.66) ACHEALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL4653074 0.83 ACHE (0.56) ACHEALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL29951947 0.83 ALDH1A1 (0.66) ACHEALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL29249228 0.82 ACHE (0.60) ACHEALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL16303382 0.81 CYP3A4 (0.59) ACHEALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL11763648 0.79 ACHE (0.52) ACHEALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL11763657 0.79 ACHE (0.52) ACHEALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL13807149 0.78 ACHE (0.50) ACHEALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL17320187 0.78 ACHE (0.50) ACHEALDH1A1CYP3A4CYP1A1CYP1A2

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-118176220-A Catalyst for olefin polymerization and process for producing olefin polymer 国立大学法人东京大学 2024-06-11 CN disclosed