SCHEMBL10694877

SCHEMBL10694877

CC(C)c1ccccc1C(C)(C)c1cccc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.52
GABRB2 P47870 3/20 0.52
HPGD P15428 4/20 0.48
TSHR P16473 3/20 0.48
CA2 P00918 3/20 0.48
CYP3A4 P08684 3/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 2/20 0.48
HIF1A Q16665 2/20 0.48
CA1 P00915 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB1 P18505 2/20 0.48
FAAH O00519 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 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

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
SCHEMBL985922 0.87 GABRA1 (0.57) GABRA1GABRB2HPGDTSHRCA2
SCHEMBL7745836 0.83 GABRA1 (0.64) GABRA1GABRB2HPGDTSHRCA2
SCHEMBL986029 0.83 CA2 (0.54) GABRA1GABRB2HPGDTSHRCA2
SCHEMBL6576803 0.83 GABRA1 (0.46) GABRA1GABRB2HPGDTSHRCA2
SCHEMBL10775084 0.76 GABRA1 (0.53) GABRA1GABRB2HPGDTSHRCA2
SCHEMBL301445 0.75 GABRA1 (0.76) GABRA1GABRB2HPGDTSHRCA2
SCHEMBL31658451 0.75 GABRA1 (0.76) GABRA1GABRB2HPGDTSHRCA2
SCHEMBL7036340 0.75 HIF1A (0.42) GABRA1GABRB2HPGDTSHRCA2
SCHEMBL9488340 0.74 ALDH1A1 (0.50) GABRA1GABRB2HPGDTSHRCA2
Hydrogen Peroxide SCHEMBL9064510 0.74 CRHBP (0.46) GABRA1GABRB2HPGDTSHRCA2

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
US-4767815-A Guerbet alcohol esters GAF CORPORATION (US) 1988-08-30 US disclosed