SCHEMBL14629628

SCHEMBL14629628

Cc1cc(C(C)(C)C)cc(C)c1SC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HTR1D P28221 5/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HTR1B P28222 3/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXRB P28702 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 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
SCHEMBL16260527 0.82 RAPGEF4 (0.36) POLBALDH1A1MAPTMEN1GAA
SCHEMBL12807692 0.79 ESR1 (0.34)
SCHEMBL2018161 0.79 POLB (0.50) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL896031 0.79 POLB (0.50) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL26223508 0.78 ALDH1A1 (0.48) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL12705758 0.75 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL2022116 0.75 POLB (0.46) POLBHTR1DGABRA1GABRB2HTR1B
SCHEMBL3231058 0.72 CYP2A6 (0.39) GABRA1GABRB2TSHRALDH1A1TDP1
SCHEMBL11613649 0.71 ALDH1A1 (0.46) POLBHTR1DGABRA1GABRB2HTR1B
Fluoride SCHEMBL1334652 0.70 CYP2A6 (0.38) GABRA1GABRB2TSHRALDH1A1TDP1

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-1741740-A1 POLYMER HAVING OXOCARBON GROUP AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-01-10 EP disclosed