SCHEMBL29558992

SCHEMBL29558992

O=C(O)c1ccc2c(Br)c(C(=O)O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
ACE2 Q9BYF1 2/20 0.45
KDM4E B2RXH2 3/20 0.43
PLA2G2D Q9UNK4 1/20 0.43
GRIN2D O15399 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2C Q14957 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
GRIN2B Q13224 1/20 0.42
WDR5 P61964 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCEH1 Q6PIU2 2/20 0.41
LDHA P00338 1/20 0.41
MYC P01106 1/20 0.40
PTPN11 Q06124 1/20 0.40

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
SCHEMBL6050756 1.00 PTPN1 (0.59) PTPN1ACE2KDM4EPLA2G2DGRIN2D
Hydrochloric Acid SCHEMBL9812987 0.98 PTPN1 (0.57) PTPN1ACE2KDM4EPLA2G2DGRIN2D
SCHEMBL28771671 0.88 PTPN1 (0.50) PTPN1ACE2KDM4EPLA2G2DGRIN2D
SCHEMBL8941427 0.84 PTPN1 (0.43) PTPN1ACE2KDM4EPLA2G2DGRIN2D
SCHEMBL9622910 0.82 CA12 (0.50) PTPN1GRIN2DGRIN2AGRIN2CHSD17B10
SCHEMBL9623662 0.82 ESR1 (0.53) PTPN1KDM4EGRIN2DGRIN2AGRIN2C
SCHEMBL22289736 0.81 PTPN1 (0.49) PTPN1KDM4EGRIN2DGRIN2AGRIN2C
SCHEMBL7088722 0.80 PTPN1 (0.64) PTPN1KDM4EGRIN2DGRIN2AGRIN2C
SCHEMBL30879496 0.80 PTPN1 (0.61) PTPN1ACE2KDM4EPLA2G2DGRIN2D
SCHEMBL812629 0.80 PTPN1 (0.61) PTPN1ACE2KDM4EPLA2G2DGRIN2D

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004724-A Method for separating and purifying 2, 6-naphthalene dicarboxylic acid and purified 2, 6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2025-05-16 CN disclosed
CN-115215740-B Method for separating and purifying 2, 6-naphthalene dicarboxylic acid and obtained 2, 6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2024-06-28 CN disclosed
CN-117917393-A Method for separating and purifying 2, 6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2024-04-23 CN disclosed
CN-117843471-A Method for purifying 2, 6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2024-04-09 CN disclosed
CN-114426480-B Hydrofining method of crude 2,6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2024-03-26 CN disclosed
CN-113754534-B Method for purifying crude2,6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2023-10-31 CN disclosed
CN-112521271-B Hydrofining method of crude 2,6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2023-08-04 CN disclosed
CN-112521272-B Hydrogenation purification method of crude 2,6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2023-04-07 CN disclosed
CN-112441909-B Method for synthesizing 2,6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2023-04-07 CN disclosed
CN-113185400-B Purification method of 2, 6-naphthalene dicarboxylic acid 唐山开滦化工科技有限公司 2022-12-27 CN disclosed
CN-114426480-A Hydrofining method of crude 2,6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2022-05-03 CN disclosed