SCHEMBL29098732

SCHEMBL29098732

CCOC(=O)C=CC(=O)c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 5/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PKM P14618 1/20 0.57
GPR52 Q9Y2T5 1/20 0.50
MAOB P27338 3/20 0.48
MAOA P21397 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
PSMD14 O00487 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3038749 0.82 MAOB (0.58) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3038740 0.82 MAOB (0.58) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6993037 0.81 MAPT (0.62) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6993038 0.81 MAPT (0.62) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3270436 0.79 RAB9A (0.48) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28623353 0.78 MAPT (0.41) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11097938 0.78 NPC1 (0.47) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28379713 0.78 ALDH1A1 (0.61) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL11097937 0.78 NPC1 (0.47) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30189480 0.77 RAB9A (0.46) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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-116554056-A Cyclohexane compound with multiple functional groups and preparation method thereof 贵州医科大学 2023-08-08 CN disclosed