SCHEMBL26680673

SCHEMBL26680673

O=c1cc(-c2ccc(OCCOC3CC(C(O)O)C3)cc2)oc2c(Cl)c(C3CC3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ MAOB P27338 2/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ ABCC1 P33527 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ TERT O14746 1/20 0.36

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
SCHEMBL21801239 0.88 ALDH2 (0.41) SIGMAR1ABCB1MAOBALDH2MAOA
SCHEMBL29180250 0.78 MAOB (0.43) ABCB1MAOBALDH2MAOAABCG2
SCHEMBL26676629 0.78 ABCB1 (0.44) SIGMAR1ABCB1ABCC1ABCG2
SCHEMBL21801231 0.78 MAOB (0.43) ABCB1MAOBALDH2MAOAABCG2
SCHEMBL21801087 0.77 CYSLTR1 (0.43) SIGMAR1ABCB1MAOBALDH2MAOA
SCHEMBL21801088 0.77 CYSLTR1 (0.43) SIGMAR1ABCB1MAOBALDH2MAOA
SCHEMBL30744086 0.77 ALDH2 (0.41) SIGMAR1ABCB1MAOBALDH2MAOA
SCHEMBL21801085 0.77 ALDH2 (0.41) SIGMAR1ABCB1MAOBALDH2MAOA
SCHEMBL21865652 0.77 MAOB (0.38) SIGMAR1ABCB1MAOBMAOAABCC1
SCHEMBL21865770 0.76 TERT (0.33) TERT

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
EP-3849966-B1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN LA ROCHE (CH) 2023-10-25 — — EP disclosed
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