SCHEMBL9668333

SCHEMBL9668333

Cc1cc(C(=O)CN(CCCCCCOCCCc2ccccc2)Cc2ccccc2)cc(C(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.42
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ APP P05067 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ LPAR1 Q92633 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL9574173 0.81 MAOB (0.43) MAOBAPPMEN1KMT2ABCHE
SCHEMBL456296 0.79 FOLH1 (0.43) MAOBPDE4APDE4BPDE4CPDE4D
SCHEMBL10076826 0.79 MAOB (0.43) MAOBAPPMEN1KMT2A
SCHEMBL10592068 0.77 MAOB (0.40) MAOBAPPPPARGMEN1KMT2A
SCHEMBL10477760 0.76 MEN1 (0.47) MAOBMEN1KMT2ABCHEACHE
SCHEMBL10077369 0.75 CDK1 (0.42) MAOBMEN1KMT2ABCHEACHE
SCHEMBL10477860 0.75 KDM4E (0.41) MAOBMEN1KMT2ABCHEACHE
SCHEMBL9863679 0.73 LMNA (0.45) BCL2L1MCL1MEN1KMT2A
SCHEMBL10077370 0.72 MAOB (0.35) MAOBPPARGPPARABCHEACHE
SCHEMBL10462952 0.71 MAOB (0.41) MAOBACHE

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-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 — — US disclosed
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