SCHEMBL9556813

SCHEMBL9556813

NC(=O)[C@@H](CCCOc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.51
▸ MAPT P10636 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CTNNB1 P35222 1/20 0.46
▸ KCNA3 P22001 1/20 0.46
▸ FFAR1 O14842 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41

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
SCHEMBL9556809 1.00 PARP10 (0.51) PARP10MAPTL3MBTL1CTNNB1KCNA3
SCHEMBL7353938 0.90 CTNNB1 (0.48) PARP10MAPTL3MBTL1CTNNB1KCNA3
SCHEMBL9556717 0.90 CTNNB1 (0.48) PARP10MAPTL3MBTL1CTNNB1KCNA3
SCHEMBL8900559 0.81 MTNR1A (0.57) PARP10MAPTL3MBTL1CTNNB1MTNR1A
SCHEMBL30444684 0.78 CTNNB1 (0.43) L3MBTL1CTNNB1MTNR1AMEN1KMT2A
SCHEMBL10420797 0.76 CTNNB1 (0.44) PARP10CTNNB1KCNA3FFAR1AKR1B1
SCHEMBL5697803 0.76 CTNNB1 (0.51) PARP10L3MBTL1CTNNB1MTNR1AMEN1
SCHEMBL9862877 0.76 PARP10 (0.53) PARP10L3MBTL1KCNA3TDP1PPARA
SCHEMBL7280245 0.73 CTNNB1 (0.52) CTNNB1KMT2ATDP1SLC1A3SLC1A2
SCHEMBL5707319 0.73 MMP9 (0.52) L3MBTL1CTNNB1MTNR1ATDP1

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-5258362-A Enzyme inhibitors, amides with oxetane ring ABBOTT LABORATORIES (US) 1993-11-02 — — US disclosed
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