SCHEMBL11098717

SCHEMBL11098717

CCOC(=O)c1sc(C(=O)c2ccccc2)c(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
MAPT P10636 6/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
CDC7 O00311 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
DBF4 Q9UBU7 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.48
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL11096295 0.88 MAOB (0.51) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL11101577 0.83 TSHR (0.53) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL11103886 0.82 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL1141274 0.82 GAA (0.56) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL11097921 0.81 ALDH1A1 (0.57) ALDH1A1MAPTGAAHPGDSMN1; SMN2
Potassium SCHEMBL7063916 0.80 GAA (0.55) ALDH1A1MAPTGAAHPGDSMN1; SMN2
Lithium SCHEMBL7065338 0.80 GAA (0.55) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL1726035 0.80 GAA (0.55) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL11104797 0.79 ALDH1A1 (0.52) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL10487739 0.79 CDC7 (0.58) ALDH1A1MAPTGAAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032748-B1 THIOPHENE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1984-08-01 EP disclosed
US-4421761-A FUNGICIDES HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1983-12-20 US disclosed
EP-0032748-A1 Thiophene derivatives UBE INDUSTRIES, LTD. (JP) 1981-07-29 EP disclosed