SCHEMBL9808035

SCHEMBL9808035

CC(CC(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
ALOX15 P16050 3/20 0.50
ALOX12 P18054 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 3/20 0.39
TTR P02766 2/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 2/20 0.37
TRPA1 O75762 3/20 0.35
KIF11 P52732 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 2/20 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
SCHEMBL1595357 0.85 HSD17B10 (0.61) HSD17B10ALOX15ALOX12CYP1A2CYP2C19
SCHEMBL9908614 0.79 HSD17B10 (0.54) HSD17B10ALOX15ALOX12CYP1A2CYP2C19
SCHEMBL9429452 0.78 CA1 (0.41) CYP1A2CYP2C9TTRCYP3A4ALDH1A1
SCHEMBL2415957 0.77 HSD17B10 (0.56) HSD17B10ALOX15ALOX12CYP1A2CYP2C19
SCHEMBL1596641 0.76 HSD17B10 (0.61) HSD17B10ALOX15ALOX12CYP1A2CYP2C19
SCHEMBL9808125 0.76 FOLH1 (0.40) HSD17B10ALOX15ALOX12CYP2C19HIF1A
SCHEMBL837133 0.76 HSD17B10 (0.50) HSD17B10ALOX15ALOX12CYP1A2CYP2C19
SCHEMBL6555161 0.73 HSD17B10 (0.52) HSD17B10ALOX15ALOX12CYP1A2CYP2C19
SCHEMBL7786841 0.73 HSD17B10 (0.64) HSD17B10ALOX15ALOX12CYP1A2CYP2C19
SCHEMBL13801377 0.73 HSD17B10 (0.64) HSD17B10ALOX15ALOX12CYP1A2CYP2C19

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-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed