SCHEMBL2802519

SCHEMBL2802519

Cc1cc(O)c(C(=O)CCCCCCCCCCCCCCO)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 2/20 0.44
FFAR1 O14842 2/20 0.39
GPR84 Q9NQS5 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
ELANE P08246 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL11079724 0.87 HTT (0.59) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL11301129 0.87 HTT (0.59) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL14925349 0.79 TSHR (0.55) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL28836023 0.78 HTT (0.61) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL9972449 0.77 HTT (0.44) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL2807160 0.75 HTT (0.53) HTTKDM4EHSD17B3
SCHEMBL2804289 0.75 HTT (0.53) HTTKDM4EHSD17B3
SCHEMBL14925353 0.71 HSD17B10 (0.49) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL27718800 0.71 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL20554715 0.70 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10TSHR

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-2010128038-A1 HYDROQUINONE DERIVATIVES AXOGLIA THERAPEUTICS S.A. (LU) 2010-11-11 WO disclosed