SCHEMBL5707464

SCHEMBL5707464

CC(C)(C)c1ccccc1O.CCCCCCCCCc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.56
BID P55957 3/20 0.50
MCL1 Q07820 3/20 0.50
BCL2L1 Q07817 2/20 0.50
BAK1 Q16611 2/20 0.50
KAT8 Q9H7Z6 2/20 0.50
SAE1 Q9UBE0 2/20 0.50
LIPG Q9Y5X9 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
EP300 Q09472 1/20 0.50
KAT2A Q92830 1/20 0.50
KAT2B Q92831 1/20 0.50
KAT5 Q92993 1/20 0.50
TYR P14679 2/20 0.49
MAPT P10636 2/20 0.49
ALOX15 P16050 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL10984997 1.00 TSHR (0.56) TSHRTDP1ALDH1A1BIDMCL1
SCHEMBL6706198 0.98 TSHR (0.58) TSHRTDP1ALDH1A1BIDMCL1
Heptane SCHEMBL27259929 0.88 ALDH1A1 (0.72) TSHRTDP1ALDH1A1BIDMCL1
Ethyne SCHEMBL27533035 0.87 LIPG (0.59) TSHRTDP1BIDMCL1BCL2L1
Hexane SCHEMBL27260332 0.87 ALDH1A1 (0.75) TSHRTDP1ALDH1A1BIDMCL1
SCHEMBL223052 0.87 LIPG (0.63) TSHRTDP1BIDMCL1BCL2L1
SCHEMBL9321974 0.87 LIPG (0.63) TSHRTDP1BIDMCL1BCL2L1
SCHEMBL2922317 0.87 LIPG (0.63) TSHRTDP1BIDMCL1BCL2L1
SCHEMBL272645 0.87 LIPG (0.63) TSHRTDP1BIDMCL1BCL2L1
SCHEMBL7450807 0.87 LIPG (0.63) TSHRTDP1BIDMCL1BCL2L1

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-0872521-B1 MOLDING MATERIAL AND PROCESS FOR PREPARING THE SAME TORAY INDUSTRIES (JP) 2006-10-11 EP disclosed