SCHEMBL15934236

SCHEMBL15934236

CNc1cc(O)cc(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.62
GABRB2 P47870 1/20 0.62
LMNA P02545 3/20 0.39
TYR P14679 1/20 0.39
UQCRB P14927 2/20 0.36
ACLY P53396 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.34
NLRP3 Q96P20 1/20 0.34
RECQL P46063 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL20082558 0.84 GABRA1 (0.42) GABRA1GABRB2ACLYALDH1A1HPGD
SCHEMBL8116484 0.84 GABRA1 (0.48) GABRA1GABRB2ACLYALDH1A1HPGD
SCHEMBL13223483 0.81 MAPT (0.47) GABRA1GABRB2LMNAALDH1A1TDP1
SCHEMBL22915824 0.79 GABRA1 (0.38) GABRA1GABRB2EGFRAPP
SCHEMBL25005829 0.78 MEN1 (0.35) GABRA1GABRB2EGFRMEN1KMT2A
SCHEMBL128139 0.78 LMNA (0.50) GABRA1GABRB2LMNAALDH1A1HPGD
SCHEMBL18268 0.78 GABRA1 (1.00) GABRA1GABRB2LMNATYRALDH1A1
SCHEMBL123887 0.78 GABRA1 (0.88) GABRA1GABRB2LMNATYRALDH1A1
SCHEMBL12115603 0.76 GABRA1 (0.54) GABRA1GABRB2LMNATYRUQCRB
Hydrochloric Acid SCHEMBL7075850 0.76 GABRA1 (0.94) GABRA1GABRB2LMNATYRALDH1A1

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
WO-2014118093-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-AMINOPHENOL COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed