SCHEMBL7942115

SCHEMBL7942115

CCN(CC)CC.O=C(O)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
GRIN2D O15399 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TBXAS1 P24557 1/20 0.45
RARB P10826 3/20 0.45
RARG P13631 3/20 0.45
RARA P10276 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP26A1 O43174 1/20 0.45
CYP26B1 Q9NR63 1/20 0.45
HCAR3 P49019 1/20 0.45
PTPN1 P18031 2/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL29587539 1.00 KDM4E (0.56) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL28405852 0.91 KMT2A (0.51) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Alcohol SCHEMBL28996062 0.85 KDM4E (0.62) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Terephthalic Acid SCHEMBL27952507 0.85 ALDH1A1 (0.60) KDM4ERAB9AALDH1A1RARBSMN1; SMN2
Terephthalic Acid SCHEMBL8092811 0.85 ALDH1A1 (0.60) KDM4ERAB9AALDH1A1RARBSMN1; SMN2
SCHEMBL7321474 0.83 HSP90AA1 (0.56) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
Methyl Alcohol SCHEMBL7181550 0.83 KDM4E (0.69) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL6916181 0.82 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL18758 0.82 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL29359975 0.82 KDM4E (0.68) KDM4EGRIN2DGRIN2AGRIN2BGRIN2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478227-B Method for preparing 2, 6-naphthalene dicarboxylic acid by using 2, 6-naphthalene dicarboxylic acid salt 中国石油化工股份有限公司 2024-01-26 CN disclosed
CN-114478227-A Method for preparing 2, 6-naphthalenedicarboxylic acid by using 2, 6-naphthalenedicarboxylate 中国石油化工股份有限公司 2022-05-13 CN disclosed
CN-114478226-A Method for preparing 2, 6-naphthalene dicarboxylic acid 中国石油化工股份有限公司 2022-05-13 CN disclosed
US-8993799-B2 Method for producing a purified naphthalene dicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
EP-0787712-B1 Process for the production of high-purity naphthalenedicarboxylic acid MITSUBISHI GAS CHEMICAL CO (JP) 2001-12-12 EP disclosed
US-5859294-A FORMING AMINE SALT OF A CRUDE NAPHTHYLENEDICARBOXYLIC ACID; REMOVING HEAVY METAL COMPONENTS BY ADSORPTION AND/OR FILTRATION; HEATING TO DISTILL OFF AMINE MITSUBISHI GAS CHEMICAL CORPORATION, INC. (JP) 1999-01-12 US disclosed
EP-0787712-A1 Process for the production of high-purity naphthalenedicarboxylic acid MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-08-06 EP disclosed