SCHEMBL29499490

SCHEMBL29499490

NC(=O)C1CC(O)c2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
SIRT1 Q96EB6 12/20 0.42
NISCH Q9Y2I1 1/20 0.40
SIRT2 Q8IXJ6 6/20 0.40
SIRT3 Q9NTG7 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6327386 0.86 SMN1; SMN2 (0.39) ATMSIRT1MAOAMAOBMEN1
SCHEMBL24496706 0.86 SMN1; SMN2 (0.39) ATMSIRT1MAOAMAOBMEN1
SCHEMBL27014130 0.86 SMN1; SMN2 (0.39) ATMSIRT1MAOAMAOBMEN1
SCHEMBL27014131 0.86 SMN1; SMN2 (0.39) ATMSIRT1MAOAMAOBMEN1
SCHEMBL29587368 0.82 HDAC4 (0.49)
SCHEMBL24496708 0.82 HDAC4 (0.49)
SCHEMBL29586933 0.81 KMT2A (0.41) ATMMEN1KMT2A
SCHEMBL24496707 0.81 KMT2A (0.41) ATMMEN1KMT2A
SCHEMBL29586848 0.81 KMT2A (0.41) ATMMEN1KMT2A
SCHEMBL6327261 0.81 KMT2A (0.41) ATMMEN1KMT2A

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-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 CN disclosed