SCHEMBL29092205

SCHEMBL29092205

O=c1ccoc2cc(OCc3ccccc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.80
MAOA P21397 15/20 0.80
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA4 P22748 1/20 0.69
CA5A P35218 1/20 0.69
CA7 P43166 1/20 0.69
CA5B Q9Y2D0 1/20 0.69
ACHE P22303 1/20 0.58
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL29966607 1.00 MAOB (0.80) MAOBMAOACA12CA1CA2
SCHEMBL16562212 0.81 MEN1 (0.64) MAOBMAOACA12CA1CA2
SCHEMBL29828846 0.79 MRGPRX4 (0.69) MAOBMAOACA12CA1CA2
SCHEMBL7214701 0.79 MRGPRX4 (0.69) MAOBMAOACA12CA1CA2
SCHEMBL28078087 0.78 MAOB (0.67) MAOBMAOACA12CA1CA2
SCHEMBL7373528 0.78 KDM4E (0.62) MAOBMAOACA12CA1CA2
SCHEMBL28776653 0.78 KDM4E (0.62) MAOBMAOACA12CA1CA2
SCHEMBL9350122 0.78 MAOB (0.72) MAOBMAOACA12CA1CA2
SCHEMBL16554259 0.77 MAOA (0.52) MAOBMAOACA12CA1CA2
SCHEMBL10519865 0.77 KDM4E (0.60) MAOBMAOACA12CA1CA2

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-116917280-A Tetrahydronaphthalene compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-10-20 CN disclosed