SCHEMBL12835327

SCHEMBL12835327

O=C1C2=C(SCCS2)C(=O)N1C1C(O)OC(CO)C(O)C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ CDA P32320 8/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PYGB P11216 1/20 0.33
▸ OGA O60502 1/20 0.33
▸ HEXA P06865 1/20 0.33
▸ HEXB P07686 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ SLC28A1 O00337 1/20 0.32
▸ SLC28A2 O43868 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.32
▸ SLC28A3 Q9HAS3 1/20 0.32

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
SCHEMBL16168023 1.00 ALDH1A1 (0.36) ALDH1A1KMT2APABPC1L3MBTL1LMNA
SCHEMBL12172826 0.87 ALDH1A1 (0.33) ALDH1A1KMT2APABPC1L3MBTL1OGA
SCHEMBL17468114 0.81 MAPT (0.42) ALDH1A1KMT2ALMNAGBA1CDA
SCHEMBL21001786 0.81 MAPT (0.42) ALDH1A1KMT2ALMNAGBA1CDA
SCHEMBL20640660 0.81 MAPT (0.42) ALDH1A1KMT2ALMNAGBA1CDA
SCHEMBL2479127 0.81 MAPT (0.42) ALDH1A1KMT2ALMNAGBA1CDA
SCHEMBL4750881 0.81 MAPT (0.42) ALDH1A1KMT2ALMNAGBA1CDA
Acetic Acid SCHEMBL21001791 0.76 HK1 (0.42) ALDH1A1KMT2AMAPTMEN1HPGD
Acetic Acid SCHEMBL16344039 0.76 HK1 (0.42) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL25344927 0.75 LMNA (0.37) LMNAGBA1CDAMAPTHPGD

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
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 — — WO disclosed
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