SCHEMBL26205507

SCHEMBL26205507

CC(C)(C)OC(=O)NCCC1=CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ RAB9A P51151 7/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ TAAR1 Q96RJ0 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ EPHX1 P07099 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL30602991 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL12717314 0.79 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2RAB9ANPC1TAAR1
SCHEMBL7783342 0.78 EPHX1 (0.73) ALDH1A1SMN1; SMN2RAB9ANPC1TAAR1
SCHEMBL8674157 0.75 TAAR1 (0.61) ALDH1A1SMN1; SMN2RAB9ANPC1TAAR1
SCHEMBL15201367 0.75 ALDH1A1 (0.39) ALDH1A1RAB9AGAAMAPTHPGD
SCHEMBL14521487 0.75 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2TAAR1MAPTKDM4E
SCHEMBL28939729 0.74 TDP1 (0.42) ALDH1A1GAAEPHX1HTT
SCHEMBL26205511 0.74 EPHX1 (0.45) ALDH1A1GAAEPHX1HTT
SCHEMBL8909470 0.72 ALDH1A1 (0.46) ALDH1A1NFKB1NFKB2RELAKDM4E
SCHEMBL28226345 0.72 HPGD (0.72) ALDH1A1RAB9ANPC1TAAR1GAA

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
WO-2023221022-A1 METHOD FOR PREPARING GALANTHAMINE, DERIVATIVE THEREOF AND INTERMEDIATE THEREOF 暨南大学 2023-11-23 — — WO disclosed
WO-2023164889-A1 METHOD FOR PREPARING CODEINE AND DERIVATIVE AND INTERMEDIATE THEREOF 暨南大学 2023-09-07 — — WO disclosed
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