SCHEMBL9431017

SCHEMBL9431017

COCCOc1ccc(OCc2ccccc2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALOX5 P09917 1/20 0.47
▸ CYP3A4 P08684 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL9430298 0.94 MAOB (0.45) MAOBL3MBTL1GAAMAPTMAOA
SCHEMBL9048086 0.93 MAOB (0.56) MAOBL3MBTL1GAAMAPTMAOA
SCHEMBL11114770 0.86 MAOB (0.59) MAOBL3MBTL1GAAMAPTMAOA
SCHEMBL19068931 0.85 MAOB (0.51) MAOBL3MBTL1ALOX5LMNACYP1A2
SCHEMBL3050888 0.85 MAOB (0.58) MAOBL3MBTL1GAAMAPTMAOA
SCHEMBL14925312 0.84 PPARD (0.51) MAOBL3MBTL1MAOARAB9AALOX5
SCHEMBL9049531 0.84 MAOB (0.44) MAOBL3MBTL1GAAMAPTMAOA
SCHEMBL9430862 0.83 MAOB (0.53) MAOBL3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL9315251 0.82 MAOB (0.58) MAOBL3MBTL1GAAMAPTMAOA
SCHEMBL9431235 0.80 SIRT2 (0.54) MAOBL3MBTL1LMNAKDM4EMEN1

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
US-5347050-A Cardioselective adrenoreceptor blocking agents; prophylaxis and therapy for coronary diseases, glaucoma, migraine BERTHOLD RICHARD (CH) 1994-09-13 — — US disclosed
EP-0052072-B1 3-AMINOPROPOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1985-02-20 — — EP disclosed
Send feedback