SCHEMBL9558124

SCHEMBL9558124

Cc1cc(C(=O)O)c(C)cc1Cc1cc(C)c(C(=O)O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
HMGB1 P09429 2/20 0.46
CXCL12 P48061 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 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
SCHEMBL12931051 0.87 NPSR1 (0.47) NPSR1HMGB1CXCL12ALDH1A1KDM4E
SCHEMBL15957874 0.85 NPSR1 (0.45) NPSR1HMGB1CXCL12ALDH1A1KDM4E
SCHEMBL21985448 0.84 NPSR1 (0.41) NPSR1HMGB1CXCL12ALDH1A1KDM4E
SCHEMBL70135 0.83 KDM4E (0.54) HMGB1CXCL12ALDH1A1KDM4EHPGD
SCHEMBL10172953 0.82 NPSR1 (0.52) NPSR1HMGB1CXCL12KDM4EHPGD
Hydrochloric Acid SCHEMBL4352648 0.81 KDM4E (0.52) HMGB1CXCL12ALDH1A1KDM4EHPGD
Ethylene Glycol SCHEMBL27658105 0.79 KDM4E (0.47) HMGB1CXCL12ALDH1A1KDM4EHPGD
SCHEMBL9557807 0.79 KDM4E (0.50) NPSR1HMGB1CXCL12ALDH1A1KDM4E
SCHEMBL17244910 0.79 GABRP (0.50) NPSR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27684889 0.79 NPSR1 (0.40) NPSR1HMGB1CXCL12ALDH1A1KDM4E

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 5 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
US-4923951-A DIISOCYANTE, ALKALI OR ALKALINE EARTH METAL CATALYST MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-05-08 US disclosed
EP-0328342-A2 Process for producing aromatic polyamides MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-16 EP disclosed