SCHEMBL29001033

SCHEMBL29001033

O=C(O)c1ccc(C(=O)O)c2cc(Br)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
RXFP1 Q9HBX9 4/20 0.61
KDM4E B2RXH2 2/20 0.53
GLA P06280 1/20 0.53
DGAT1 O75907 1/20 0.47
NPC1 O15118 1/20 0.46
MYC P01106 1/20 0.44
NR4A1 P22736 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GPR35 Q9HC97 1/20 0.43
ACLY P53396 1/20 0.42
CYP1A2 P05177 2/20 0.42
APEX1 P27695 1/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42

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
SCHEMBL31401779 1.00 MEN1 (0.61) MEN1KMT2ARXFP1KDM4EGLA
SCHEMBL18878243 0.80 MEN1 (0.62) MEN1KMT2ARXFP1KDM4EGLA
SCHEMBL618056 0.79 KDM4E (0.65) KDM4EGLAMYCNR4A1GRIN1
SCHEMBL6795350 0.79 RXFP1 (0.53) MEN1KMT2ARXFP1KDM4EGLA
SCHEMBL156346 0.78 DGAT1 (0.68) MEN1KMT2ARXFP1KDM4EGLA
SCHEMBL7495328 0.78 CYP1A2 (0.58) KMT2ARXFP1KDM4ENR4A1ACE2
SCHEMBL2780747 0.77 KDM4E (0.57) MEN1KMT2ARXFP1KDM4EGLA
SCHEMBL4441828 0.77 KDM4E (0.63) KDM4EGLAMYCNR4A1GRIN1
SCHEMBL29853660 0.77 KDM4E (0.57) MEN1KMT2ARXFP1KDM4EGLA
Hydrochloric Acid SCHEMBL2349044 0.77 DGAT1 (0.66) MEN1KMT2ARXFP1KDM4EGLA

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-115954444-A Preparation method of naphthyl polycarboxylate organic material and application of naphthyl polycarboxylate organic material in metal ion battery 中国科学院深圳先进技术研究院 2023-04-11 CN disclosed