SCHEMBL28899595

SCHEMBL28899595

COc1cccc2c1CC(C(=O)OC13CC4CC(CC(C4)C1)C3)C2=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CNR2 P34972 6/20 0.40
CYP19A1 P11511 1/20 0.40
FAAH O00519 3/20 0.40
EPHX2 P34913 1/20 0.39
P2RX7 Q99572 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.37
GPR84 Q9NQS5 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
SCHEMBL28736065 0.87 ACHE (0.46) ACHEKDM4EMAPTCNR2CYP19A1
SCHEMBL6382066 0.81 ACHE (0.60) ACHELMNAKDM4EPOLBMAPT
SCHEMBL28391460 0.80 ACHE (0.48) ACHE
SCHEMBL28736067 0.79 KDM4E (0.44) ACHEKDM4EMAPTCNR2CYP19A1
SCHEMBL28529968 0.76 ACHE (0.62) ACHELMNAKDM4EPOLBMAPT
SCHEMBL28527510 0.76 ACHE (0.55) ACHELMNAKDM4EPOLBMAPT
SCHEMBL6384868 0.76 KDM4E (0.56) ACHELMNAKDM4EPOLBMAPT
SCHEMBL28899602 0.74 CNR2 (0.39) ACHELMNAKDM4EPOLBMAPT
SCHEMBL28580461 0.74 NPC1 (0.43) ACHELMNAKDM4EMAPTCNR2
SCHEMBL28390052 0.70 ALDH1A1 (0.39) KDM4EPOLBMAPTCYP19A1MEN1

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
CN-110372507-B Novel method for preparing chiral alpha-hydroxy-beta-dicarbonyl compound by photocatalytic asymmetric oxidation 大连理工大学 2022-04-15 CN disclosed
CN-110372506-B Novel method for realizing visible light catalytic asymmetric oxidation by utilizing microreactor 大连理工大学 2022-04-15 CN disclosed