SCHEMBL30162845

SCHEMBL30162845

Nc1cc(C(=O)O)ccc1C(=O)O.Nc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 4/20 0.55
HSD17B10 Q99714 4/20 0.55
TDP1 Q9NUW8 4/20 0.54
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 1/20 0.53
CDC25B P30305 1/20 0.52
PPM1B O75688 1/20 0.52
GAA P10253 7/20 0.50
MAPT P10636 7/20 0.50
THRB P10828 3/20 0.50
GFER P55789 2/20 0.50
GLA P06280 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
HTT P42858 1/20 0.50
PLEC Q15149 1/20 0.50
IDO1 P14902 1/20 0.50

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
SCHEMBL29377257 1.00 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL143267 1.00 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL12486613 0.98 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL28397152 0.98 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL29105785 0.98 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL23357752 0.98 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL31195371 0.98 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL28861640 0.98 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL29067063 0.98 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
Terephthalic Acid SCHEMBL29195332 0.98 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1

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
US-20240278208-A1 Metal Organic Frameworks Having Node Defects And Methods Of Making The Same EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2024-08-22 US disclosed
WO-2023278246-A1 METAL ORGANIC FRAMEWORKS HAVING NODE DEFECTS AND METHODS OF MAKING THE SAME ExxonMobil Technology and Engineering Company (US) 2023-01-05 WO disclosed