SCHEMBL9568576

SCHEMBL9568576

CCC(CC)c1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
SNCA P37840 1/20 0.37
ALDH1A1 P00352 8/20 0.37
HSD17B10 Q99714 4/20 0.37
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
S1PR3 Q99500 1/20 0.35
TSHR P16473 2/20 0.34
NT5E P21589 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 2/20 0.33
CASR P41180 1/20 0.33
CYP1A2 P05177 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL9568601 0.91 NR1I2 (0.35) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9542136 0.87 CA2 (0.36) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9615906 0.85 HTT (0.43) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL600325 0.83 ALDH1A1 (0.36) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL2074919 0.82 HTT (0.35) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL644415 0.81 CYP1A2 (0.36) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL17417188 0.80 HTT (0.54) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9101581 0.80 HTT (0.43) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL10954377 0.80 HTT (0.34) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL28564255 0.80 LMNA (0.42) HTTSNCAALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP claimed
EP-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 EP disclosed