SCHEMBL9558286

SCHEMBL9558286

Cc1ccc2c(C(=O)O)cccc2c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
PRNP P04156 1/20 0.45
MYC P01106 2/20 0.44
CDC25B P30305 2/20 0.44
PTPN1 P18031 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TBXAS1 P24557 1/20 0.42
ALOX15 P16050 1/20 0.41
POLB P06746 2/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL23909534 0.88 ALDH1A1 (0.41) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL23909595 0.88 KMT2A (0.42) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL1048314 0.85 CYP1A2 (0.52) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL10015553 0.84 LDHA (0.47) ALDH1A1CYP3A4CYP2C9TDP1L3MBTL1
SCHEMBL29996206 0.82 NR4A1 (0.55) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL31401786 0.82 NR4A1 (0.55) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL464977 0.82 NR4A1 (0.55) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL10869342 0.81 NR4A1 (0.50) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL24895106 0.81 HPGD (0.63) NR4A1NR4A2NR4A3ALDH1A1KDM4E
SCHEMBL3197711 0.80 ALDH1A1 (0.61) NR4A1NR4A2NR4A3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332425-B1 PROCESS FOR REFINING 1,3-DIMETHYL-2-IMIDAZOLIDINONE AND A PROCESS FOR PREPARING AN AROMATIC POLYAMIDE BY USE OF THE REFINED PRODUCT MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP disclosed
US-5075406-A Solution polymerization of polyamides in solvent purified by adsorption on magnesia, alumina, silica or mixed oxides MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-24 US disclosed
US-5011936-A Using composite salt consisting of at least two of silica, magnesia and alumina MITSUI TOATSU CHEMICALS, INC. (JP) 1991-04-30 US disclosed
EP-0332425-A1 Process for refining 1,3-dimethyl-2-imidazolidinone and a process for preparing an aromatic polyamide by use of the refined product MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-13 EP disclosed