SCHEMBL5151035

SCHEMBL5151035

C=Cc1ccccc1OCCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 6/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
PSMD14 O00487 1/20 0.39
CRHBP P24387 1/20 0.39
PPARG P37231 1/20 0.39
CRHR2 Q13324 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
LTA4H P09960 1/20 0.37
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5153392 0.98 HPGD (0.43) HPGDALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL10356968 0.84 ALDH1A1 (0.62) HPGDALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL27680394 0.83 ALDH1A1 (0.43) HPGDALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL10597617 0.79 ALDH1A1 (0.61) HPGDALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3793697 0.79 ALDH1A1 (0.52) HPGDALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL13074028 0.77 HPGD (0.41) HPGDALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL22261688 0.77 ALDH1A1 (0.49) HPGDALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL22261698 0.77 ALDH1A1 (0.49) HPGDALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL22261738 0.77 ALDH1A1 (0.49) HPGDALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL16606262 0.77 ALDH1A1 (0.49) HPGDALDH1A1HTTSMN1; SMN2KMT2A

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-20070231671-A1 Catalyst Material For Use In Fuel Cell, Catalyst Membrane, Membrane Electrode Assembly and Fuel Cell FUJIFILM CORPORATION 2007-10-04 US disclosed