SCHEMBL31580938

SCHEMBL31580938

CC1(C)OC(=O)c2cc(OCc3cccc(Br)c3)ccc2O1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 17/20 0.61
▸ MAOA P21397 11/20 0.56
▸ PARP15 Q460N3 1/20 0.50
▸ PARP10 Q53GL7 1/20 0.50

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
SCHEMBL2494139 0.86 MAOB (0.57) MAOBMAOA
SCHEMBL2761859 0.76 MAOB (0.67) MAOBMAOA
SCHEMBL3524389 0.76 ALDH1A1 (0.44) —
SCHEMBL29690270 0.76 ALDH1A1 (0.44) —
SCHEMBL31217566 0.73 PPIB (0.54) —
SCHEMBL2762199 0.73 MEN1 (0.47) —
SCHEMBL31581197 0.71 MAOB (0.36) MAOBMAOA
SCHEMBL4404036 0.71 MAOB (1.00) MAOBMAOAPARP15PARP10
SCHEMBL16616108 0.71 MAOB (0.46) MAOB
SCHEMBL31581146 0.70 MAOB (0.38) MAOBMAOA

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
WO-2025104079-A1 SALICYLIC ACID AND PICOLINIC ACID DERIVATIVES AS INHIBITORS OF ENERGY COUPLING FACTOR (ECF) TRANSPORTERS FOR THE TREATMENT OF BACTERIAL INFECTIONS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2025-05-22 — — WO disclosed
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