SCHEMBL13897310

SCHEMBL13897310

C=C(C)c1ccc(OCCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ HRH1 P35367 2/20 0.38

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
SCHEMBL21098957 0.88 L3MBTL1 (0.43) L3MBTL1GAAALOX12MAPTALDH1A1
SCHEMBL18037724 0.84 FURIN (0.44) L3MBTL1GAAALOX12MAPTTDP1
SCHEMBL15176976 0.83 L3MBTL1 (0.48) L3MBTL1GAAALOX12MAPTHTT
SCHEMBL20197999 0.82 MAPT (0.43) L3MBTL1ALOX12MAPTALDH1A1KMT2A
SCHEMBL22749389 0.80 KMT2A (0.49) L3MBTL1ALOX12MAPTALDH1A1HPGD
SCHEMBL15177520 0.78 L3MBTL1 (0.43) L3MBTL1GAAALOX12MAPTHTT
SCHEMBL1744893 0.78 GPR119 (0.41) L3MBTL1GAAALOX12MAPTHTT
SCHEMBL557680 0.78 GPR119 (0.41) L3MBTL1GAAALOX12MAPTHTT
SCHEMBL14616553 0.78 MAPT (0.44) GAAMAPTPOLBHTTALDH1A1
SCHEMBL13939362 0.77 MAPT (0.41) L3MBTL1GAAALOX12MAPTPOLB

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-7507420-B2 Peptidyl prodrugs and linkers and stabilizers useful therefor MEDAREX, INC. (US) 2009-03-24 — — US disclosed
Send feedback