SCHEMBL30487592

SCHEMBL30487592

Cc1ccc(O)c2c1C[C@@H](C)OC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 1.00
MAOB P27338 8/20 1.00
POLL Q9UGP5 1/20 0.64
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60

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
SCHEMBL30487615 1.00 MAOA (1.00) MAOAMAOBPOLLKDM4EPOLB
SCHEMBL28813383 0.88 MAOA (1.00) MAOAMAOBKDM4EPOLBMAPT
SCHEMBL30487583 0.83 MAOA (0.77) MAOAMAOBPOLLKDM4EPOLB
SCHEMBL13925642 0.83 MAOA (0.77) MAOAMAOBPOLLKDM4EPOLB
SCHEMBL13925639 0.83 MAOA (0.77) MAOAMAOBPOLLKDM4EPOLB
SCHEMBL13925635 0.83 MAOA (0.77) MAOAMAOBPOLLKDM4EPOLB
SCHEMBL28375308 0.81 MAOA (1.00) MAOAMAOBPOLLKDM4EPOLB
SCHEMBL30487573 0.81 MAOB (1.00) MAOAMAOBKDM4EPOLBMAPT
SCHEMBL30487601 0.78 POLL (1.00) MAOAMAOBPOLL
SCHEMBL28229128 0.78 MAOA (0.68) MAOAMAOBPOLL

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-110872268-B Isocoumarin derivative and preparation method and medicinal application thereof 复旦大学 2023-07-25 CN disclosed