SCHEMBL31532964

SCHEMBL31532964

O=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)cc(-c3nc(-c4ccc(C(=O)O)cc4)c(-c4ccc(C(=O)O)cc4)[nH]3)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
KMT2A Q03164 5/20 0.70
ALDH1A1 P00352 4/20 0.70
HPGD P15428 4/20 0.70
GLA P06280 3/20 0.70
GAA P10253 3/20 0.70
MEN1 O00255 3/20 0.67
MAPK14 Q16539 4/20 0.64
MAPK13 O15264 3/20 0.64
MAPK12 P53778 3/20 0.64
MAPK11 Q15759 3/20 0.64
PTPN1 P18031 2/20 0.64
TGFBR1 P36897 2/20 0.64
ALOX5 P09917 2/20 0.64
MAPT P10636 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
GFER P55789 1/20 0.62
CSNK1D P48730 1/20 0.57
CSNK1E P49674 1/20 0.57

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
SCHEMBL29103864 0.91 KDM4E (0.83) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL12311111 0.89 KDM4E (0.75) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL12152257 0.87 KDM4E (0.74) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL2593317 0.86 KDM4E (0.91) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL28500397 0.85 KDM4E (0.74) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL12311036 0.85 KDM4E (0.67) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL14220430 0.84 KDM4E (0.72) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL28904610 0.84 MAPK13 (0.87) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL12561714 0.84 KDM4E (0.72) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL16497610 0.80 MAPK14 (0.81) KDM4EKMT2AALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119639020-A Zirconium-based metal organic framework and preparation method thereof 深圳职业技术大学 2025-03-18 CN claimed
CN-119639020-A Zirconium-based metal organic framework and preparation method thereof 深圳职业技术大学 2025-03-18 CN disclosed