SCHEMBL31401767

SCHEMBL31401767

O=C(O)c1cc(C(=O)O)c2cccc(C(=O)O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
ACE2 Q9BYF1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 3/20 0.44
CDC25B P30305 2/20 0.44
CDC25A P30304 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
ATIC P31939 1/20 0.44
PRNP P04156 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PLA2G2D Q9UNK4 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 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
SCHEMBL28651 1.00 PTPN1 (0.55) PTPN1NR4A1NR4A2NR4A3ACE2
Hydrochloric Acid SCHEMBL7538741 0.98 PTPN1 (0.53) PTPN1NR4A1NR4A2NR4A3ACE2
SCHEMBL29659433 0.85 CA12 (0.48) PTPN1ACE2ALDH1A1ALOX15HSD17B10
SCHEMBL335300 0.85 CA12 (0.48) PTPN1ACE2ALDH1A1ALOX15HSD17B10
SCHEMBL11514979 0.83 CDC25B (0.48) PTPN1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL11782655 0.83 CA12 (0.46) PTPN1ACE2ALDH1A1ALOX15HSD17B10
SCHEMBL11782172 0.83 CA12 (0.46) PTPN1ACE2ALDH1A1ALOX15HSD17B10
SCHEMBL11780901 0.83 CA12 (0.46) PTPN1ACE2ALDH1A1ALOX15HSD17B10
Water SCHEMBL11782691 0.83 CA12 (0.46) PTPN1ACE2ALDH1A1ALOX15HSD17B10
SCHEMBL11783917 0.83 CA12 (0.46) PTPN1ACE2ALDH1A1ALOX15HSD17B10

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-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