SCHEMBL29540754

SCHEMBL29540754

CCOC(=O)c1cnn(C2CC3(C2)OCCO3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.47
ACHE P22303 3/20 0.38
ALDH1A1 P00352 7/20 0.37
PIK3CA P42336 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 2/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
TSHR P16473 1/20 0.34
FDFT1 P37268 1/20 0.34
MAPK1 P28482 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL22617352 0.92 OGA (0.42) OGAACHEALDH1A1PIK3CACYP2C9
SCHEMBL23834566 0.88 OGA (0.50) OGAACHEALDH1A1PIK3CACYP2C9
SCHEMBL17437956 0.82 OGA (0.53) OGAACHEALDH1A1CYP2C9CYP2C19
SCHEMBL30612636 0.81 OGA (0.54) OGAACHEALDH1A1PIK3CAPSMB8
SCHEMBL12803550 0.81 OGA (0.48) OGAACHEALDH1A1PIK3CACYP2C9
SCHEMBL31352440 0.79 ACHE (0.59) OGAACHEALDH1A1CYP2C9CYP2C19
SCHEMBL22979376 0.79 ACHE (0.56) OGAACHEALDH1A1CYP2C9CYP2C19
SCHEMBL22617414 0.78 OGA (0.46) OGAACHEALDH1A1CYP2C9CYP2C19
SCHEMBL22617315 0.78 OGA (0.46) OGAACHEALDH1A1CYP2C9CYP2C19
SCHEMBL22617317 0.78 OGA (0.46) OGAACHEALDH1A1CYP2C9CYP2C19

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-114401952-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-04-26 CN disclosed