SCHEMBL24291657

SCHEMBL24291657

COc1ccc(CN(C(=O)OC(C)(C)C)C(C)OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NR1D1 P20393 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CACNA1B Q00975 1/20 0.39
▸ TSPO P30536 1/20 0.39
▸ BMP1 P13497 1/20 0.39

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
SCHEMBL1800106 0.85 CYP4A11 (0.40) MEN1KMT2A
SCHEMBL8893537 0.83 LDHA (0.44) ALDH1A1HTTSMN1; SMN2PSEN1PSEN2
SCHEMBL25609121 0.82 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2PSEN1PSEN2
SCHEMBL29765181 0.81 L3MBTL1 (0.41) ALDH1A1HTTSMN1; SMN2PSEN1PSEN2
SCHEMBL21741216 0.81 L3MBTL1 (0.41) ALDH1A1HTTSMN1; SMN2PSEN1PSEN2
SCHEMBL25609123 0.81 NR1D1 (0.43) ALDH1A1HTTSMN1; SMN2PSEN1PSEN2
SCHEMBL25448644 0.80 HTT (0.49) ALDH1A1HTTSMN1; SMN2L3MBTL1NR1D1
SCHEMBL11579749 0.80 LDHA (0.43) ALDH1A1HTTSMN1; SMN2L3MBTL1NR1D1
SCHEMBL10519344 0.80 LDHA (0.43) ALDH1A1HTTSMN1; SMN2L3MBTL1NR1D1
SCHEMBL11400130 0.80 LDHA (0.43) ALDH1A1HTTSMN1; SMN2L3MBTL1NR1D1

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
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — WO disclosed
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