SCHEMBL29132823

SCHEMBL29132823

O=C(O)CCC(NN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ GLA P06280 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ NAALAD2 Q9Y3Q0 4/20 0.48
▸ GGH Q92820 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46

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
SCHEMBL30660068 1.00 KDM4E (0.57) KDM4EALDH1A1TP53GLAPOLB
SCHEMBL29132822 1.00 KDM4E (0.57) KDM4EALDH1A1TP53GLAPOLB
SCHEMBL11360473 0.81 ALDH1A1 (0.47) KDM4EALDH1A1TP53GLAPOLB
Hydrochloric Acid SCHEMBL7855163 0.81 MMP2 (0.43) KDM4EALDH1A1TP53GLAPOLB
SCHEMBL7605696 0.81 MMP2 (0.49) KDM4EALDH1A1TP53GLAPOLB
SCHEMBL7265100 0.80 ALDH1A1 (0.56) ALDH1A1POLBNAALAD2GAAMMP9
SCHEMBL7272751 0.80 ALDH1A1 (0.56) ALDH1A1POLBNAALAD2GAAMMP9
SCHEMBL8624980 0.79 METAP2 (0.41) KDM4EALDH1A1TP53GLAPOLB
SCHEMBL2427953 0.79 GAA (0.52) ALDH1A1GAAMMP9MEN1KMT2A
SCHEMBL3505431 0.74 ALDH1A1 (0.43) KDM4EALDH1A1POLBCA12GAA

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
CN-117024878-A Modified polypropylene geogrid raw material and geogrid 山东路德新材料股份有限公司 2023-11-10 — — CN disclosed
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