SCHEMBL30355325

SCHEMBL30355325

O=C(O)c1cc(C(=O)O)c2c(C(=O)O)cccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
PTPN1 P18031 1/20 0.58
HSD17B10 Q99714 3/20 0.55
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CDC25B P30305 2/20 0.43
CDC25A P30304 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTPN11 Q06124 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KEAP1 Q14145 1/20 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
SCHEMBL30879448 1.00 MEN1 (0.66) MEN1KMT2APTPN1HSD17B10NR4A1
SCHEMBL3686506 1.00 MEN1 (0.66) MEN1KMT2APTPN1HSD17B10NR4A1
SCHEMBL17603629 0.84 KMT2A (0.59) MEN1KMT2APTPN1HSD17B10NR4A1
SCHEMBL31090352 0.83 MEN1 (0.50) MEN1KMT2APTPN1HSD17B10CA12
SCHEMBL9503850 0.83 MEN1 (0.50) MEN1KMT2APTPN1HSD17B10CA12
SCHEMBL5682240 0.83 PTPN1 (0.66) MEN1KMT2APTPN1HSD17B10NR4A1
Terephthalic Acid SCHEMBL20838337 0.82 HSD17B10 (0.67) MEN1KMT2APTPN1HSD17B10NR4A1
SCHEMBL29404347 0.81 HSD17B10 (0.78) MEN1KMT2APTPN1HSD17B10NR4A1
SCHEMBL7624693 0.81 HSD17B10 (0.78) MEN1KMT2APTPN1HSD17B10NR4A1
Benzene SCHEMBL28110156 0.81 HSD17B10 (0.78) MEN1KMT2APTPN1HSD17B10NR4A1

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-115954444-B Preparation method of naphthalene polycarboxylate organic material and application of naphthalene polycarboxylate organic material in metal ion battery 中国科学院深圳先进技术研究院 2025-01-14 CN disclosed
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