SCHEMBL11845043

SCHEMBL11845043

CC(=O)c1ccc(COc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.82
▸ ALDH1A1 P00352 2/20 0.78
▸ HTT P42858 1/20 0.78
▸ SMN1; SMN2 Q16637 1/20 0.78
▸ L3MBTL1 Q9Y468 1/20 0.78
▸ MAOA P21397 2/20 0.68
▸ FFAR1 O14842 2/20 0.64
▸ FFAR4 Q5NUL3 1/20 0.64
▸ PPARG P37231 1/20 0.63
▸ NR4A1 P22736 1/20 0.61
▸ NR4A2 P43354 1/20 0.61
▸ NR4A3 Q92570 1/20 0.61
▸ HRH3 Q9Y5N1 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ PARP10 Q53GL7 1/20 0.58

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
SCHEMBL6337667 0.95 MAOB (0.90) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL13513249 0.94 MAOB (0.87) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL42302 0.90 MAOB (1.00) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL6054433 0.88 MAOB (0.82) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL29154487 0.88 ALDH1A1 (0.83) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL9126144 0.86 MAOB (0.90) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL6338480 0.85 MAOB (0.73) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL167640 0.85 RAB9A (0.83) MAOBALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL27518404 0.83 MAOB (0.85) MAOBALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL891493 0.83 FFAR1 (0.69) MAOBSMN1; SMN2L3MBTL1MAOAFFAR1

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
US-3987102-A PHENOXY (BENZYLOXY) BENZENE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1976-10-19 — — US claimed
Send feedback