SCHEMBL9864537

SCHEMBL9864537

CC(C)c1ccccc1C(=O)C(=O)c1ccccc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 2/20 0.52
SLC6A2 P23975 4/20 0.48
LMNA P02545 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB1 P18505 2/20 0.48
TSHR P16473 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
PTGS1 P23219 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL10440558 0.89 CES2 (0.56) GABRA1GABRB2LMNAGABRB1CES2
SCHEMBL1148330 0.85 GABRA1 (0.52) GABRA1GABRB2SLC6A2LMNAGABRG2
SCHEMBL1635308 0.83 GABRA1 (0.50) GABRA1GABRB2SLC6A2LMNAGABRG2
SCHEMBL29567244 0.83 GABRA1 (0.50) GABRA1GABRB2SLC6A2LMNAGABRG2
Hydrogen Peroxide SCHEMBL9514730 0.83 ALDH1A1 (0.59) GABRA1GABRB2SLC6A2LMNAGABRG2
SCHEMBL254364 0.83 ALDH1A1 (0.59) GABRA1GABRB2SLC6A2LMNAGABRG2
SCHEMBL29657201 0.83 ALDH1A1 (0.59) GABRA1GABRB2SLC6A2LMNAGABRG2
SCHEMBL12545912 0.82 MEN1 (0.53) GABRA1GABRB2SLC6A2LMNAGABRG2
Hydrogen Peroxide SCHEMBL1652481 0.81 GABRA1 (0.48) GABRA1GABRB2SLC6A2LMNAGABRG2
SCHEMBL8094200 0.81 GABRA1 (0.48) GABRA1GABRB2SLC6A2LMNAGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409437-A2 Process for preparing aromatic polycarboxylic acids KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-23 EP disclosed