SCHEMBL13535481

SCHEMBL13535481

COC(C)COCc1ccccc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.34
GABRB2 P47870 2/20 0.34
LPAR1 Q92633 2/20 0.34
KMT2A Q03164 2/20 0.34
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
NPBWR1 P48145 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL7771649 0.83 GABRA1 (0.43) GABRA1GABRB2LPAR1GABRG2GABRB3
SCHEMBL13899599 0.81 KDM4E (0.40) KMT2ACYP1A2CYP3A4LMNAHPGD
SCHEMBL8750458 0.78 GABRA1 (0.39) GABRA1GABRB2LPAR1GABRG2GABRB3
SCHEMBL9968895 0.77 GABRA1 (0.41) GABRA1GABRB2LPAR1KMT2AGABRG2
SCHEMBL13535483 0.76 GABRA1 (0.34) GABRA1GABRB2LPAR1KMT2AGABRG2
SCHEMBL13145477 0.75 TSHR (0.56) KMT2ACA1CA2LMNATSHR
SCHEMBL16732414 0.74 KMT2A (0.55) KMT2ACA1CA2TSHRL3MBTL1
SCHEMBL3421333 0.74 KMT2A (0.55) KMT2ACA1CA2TSHRL3MBTL1
SCHEMBL21540243 0.74 KMT2A (0.55) KMT2ACA1CA2TSHRL3MBTL1
Hydrogen Peroxide SCHEMBL9347056 0.73 GABRA1 (0.36) GABRA1GABRB2LPAR1KMT2AGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7648651-B2 Solvent composition ADEKA CORPORATION (JP) 2010-01-19 US disclosed
US-7648651-B2 Solvent composition ADEKA CORPORATION (JP) 2010-01-19 US disclosed
US-20090093588-A1 Solvent Composition ADEKA CORPORATION (JP) 2009-04-09 US disclosed
US-20090093588-A1 Solvent Composition ADEKA CORPORATION (JP) 2009-04-09 US disclosed
US-7507355-B2 Solvent composition ADEKA CORPORATION (JP) 2009-03-24 US disclosed
US-7507355-B2 Solvent composition ADEKA CORPORATION (JP) 2009-03-24 US disclosed
US-20070257233-A1 Solvent Composition ADEKA CORPORATION (JP) 2007-11-08 US disclosed
US-20070257233-A1 Solvent Composition ADEKA CORPORATION (JP) 2007-11-08 US disclosed
EP-1808223-A1 SOLVENT COMPOSITION Adeka Corporation (JP) 2007-07-18 EP disclosed