SCHEMBL5839858

SCHEMBL5839858

Cc1cccc(COc2ccccc2C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.59
MRGPRX4 Q96LA9 7/20 0.56
APEX1 P27695 1/20 0.56
FFAR4 Q5NUL3 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MAOB P27338 2/20 0.52
FOLH1 Q04609 1/20 0.52
LRRK2 Q5S007 1/20 0.52
SLC1A5 Q15758 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51

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
SCHEMBL1097268 0.89 MRGPRX4 (0.53) PTGER1MRGPRX4APEX1FFAR4MAOB
SCHEMBL5680240 0.88 APEX1 (0.58) PTGER1APEX1FFAR4FOLH1ALDH1A1
SCHEMBL5666920 0.87 PARP1 (0.62) MRGPRX4FFAR4L3MBTL1MAOBSLC1A5
SCHEMBL9784448 0.87 APEX1 (0.57) PTGER1APEX1FFAR4FOLH1ALDH1A1
SCHEMBL8425730 0.86 HTT (0.56) PTGER1FFAR4L3MBTL1MAOBALDH1A1
SCHEMBL112903 0.84 SGMS2 (0.66) PTGER1L3MBTL1FOLH1ALDH1A1KMT2A
SCHEMBL29433417 0.84 SGMS2 (0.66) PTGER1L3MBTL1FOLH1ALDH1A1KMT2A
SCHEMBL5839101 0.83 ALDH1A1 (0.59) PTGER1APEX1FOLH1ALDH1A1KMT2A
SCHEMBL1388008 0.83 MRGPRX4 (0.59) PTGER1MRGPRX4APEX1MAOBLRRK2
SCHEMBL9951153 0.83 MRGPRX4 (0.63) PTGER1MRGPRX4MAOBFOLH1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995567-B Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof 浙江工业大学 2022-11-25 CN disclosed
CN-111995567-A Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof 浙江工业大学 2020-11-27 CN disclosed
US-6984645-B2 Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-10 US disclosed
US-5034370-A Reaction product of a salicylic acid derivative with formaldehyde and an aromatic compound SUMITOMO DUREZ COMPANY, LTD. (JP) 1991-07-23 US disclosed