SCHEMBL9615906

SCHEMBL9615906

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.38
SNCA P37840 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 1/20 0.36
RORC P51449 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
LMNA P02545 4/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.34
CASP1 P29466 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL8971719 0.87 CA2 (0.42) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9614139 0.85 HTT (0.42) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9568576 0.85 HTT (0.38) HTTTSHRSNCAALDH1A1HSD17B10
SCHEMBL22908991 0.85 RORC (0.51) HTTTSHRALDH1A1HSD17B10RORC
SCHEMBL6329340 0.83 HTT (0.40) HTTSNCAALDH1A1HSD17B10LMNA
SCHEMBL9101581 0.82 HTT (0.43) HTTTSHRSNCAALDH1A1HSD17B10
SCHEMBL17417188 0.82 HTT (0.54) HTTTSHRSNCAALDH1A1HSD17B10
SCHEMBL600325 0.82 ALDH1A1 (0.36) HTTTSHRSNCAALDH1A1HSD17B10
SCHEMBL15641681 0.81 HTT (0.39) HTTTSHRSNCAALDH1A1HSD17B10
SCHEMBL18776589 0.81 TSHR (0.52) HTTTSHRALDH1A1HSD17B10RORC

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
JP-4175375-A None JP disclosed
JP-H04175375-A THERMOSETTING COMPOSITION NIPPON OIL & FATS CO LTD 1992-06-23 JP disclosed