SCHEMBL9558573

SCHEMBL9558573

COc1cc(Cc2ccc(C(=O)O)cc2)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.57
PPARA Q07869 1/20 0.57
ALDH1A1 P00352 2/20 0.53
RXRA P19793 3/20 0.50
NR1H4 Q96RI1 1/20 0.49
CFD P00746 1/20 0.49
SRD5A2 P31213 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
TSHR P16473 2/20 0.47

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
SCHEMBL6866012 0.92 PPARG (0.65) PPARGPPARAALDH1A1CFDCA2
SCHEMBL3721241 0.89 PPARG (0.58) PPARGPPARAALDH1A1CFDCA2
SCHEMBL966378 0.81 CA12 (0.71) ALDH1A1CA2CA12CA1CA4
SCHEMBL19413941 0.80 SRD5A2 (0.59) ALDH1A1RXRANR1H4CFDSRD5A2
SCHEMBL5501065 0.80 PPARG (0.68) PPARGPPARAALDH1A1TSHRHTT
SCHEMBL3914968 0.80 PPARG (0.63) PPARGPPARAALDH1A1TSHRHTT
SCHEMBL6866417 0.80 KLKB1 (0.58) ALDH1A1RXRACFDSRD5A2CA2
Hydrochloric Acid SCHEMBL17667160 0.80 CA12 (0.69) PPARGPPARAALDH1A1CA2CA12
SCHEMBL2772851 0.79 GAA (0.68) PPARGPPARAALDH1A1NR1H4TSHR
SCHEMBL8960746 0.79 PDE4A (0.57) ALDH1A1RXRACA2CA12CA1

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 6 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-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
EP-0328342-A2 Process for producing aromatic polyamides MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-16 EP disclosed