SCHEMBL28375308

SCHEMBL28375308

CC[C@@H]1Cc2c(C)ccc(O)c2C(=O)O1

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 6/20 0.68
POLL Q9UGP5 1/20 0.43
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL30487592 0.81 MAOA (1.00) MAOAMAOBPOLLKDM4EPOLB
SCHEMBL30487615 0.81 MAOA (1.00) MAOAMAOBPOLLKDM4EPOLB
SCHEMBL28370465 0.79 POLL (0.70) MAOAMAOBPOLLKDM4EMAPT
SCHEMBL16870295 0.79 MAOA (0.68) MAOAMAOB
SCHEMBL16870362 0.76 MAOA (0.61) MAOAMAOB
SCHEMBL11874566 0.75 MAOA (0.60) MAOAMAOBPOLL
SCHEMBL28371042 0.72 MAOA (1.00) MAOAMAOB
SCHEMBL27926131 0.71 MAOA (0.55) MAOAMAOBKDM4EPOLBMAPT
SCHEMBL11874787 0.70 MAOA (0.61) MAOAMAOBPOLL
SCHEMBL12621716 0.70 MAOA (0.54) 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 2 patents. 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
CN-110872268-A Isocoumarin derivative and preparation method and medicinal application thereof 复旦大学 2020-03-10 CN disclosed