SCHEMBL9367269

SCHEMBL9367269

COC(=O)c1sc(S)c(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 8/20 0.41
HPGD P15428 6/20 0.41
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 3/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
XDH P47989 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
FUT7 Q11130 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL9367309 0.82 ALDH1A1 (0.49) MAPTTSHRHSD17B10KMT2AALDH1A1
SCHEMBL3907317 0.81 MAPT (0.44) MAPTTSHRHSD17B10KMT2AALDH1A1
SCHEMBL9371067 0.80 MAPT (0.47) MAPTTSHRHSD17B10KMT2AALDH1A1
SCHEMBL9524469 0.79 KMT2A (0.42) MAPTTSHRHSD17B10KMT2AALDH1A1
SCHEMBL9365836 0.77 MAPT (0.44) MAPTTSHRHSD17B10KMT2AALDH1A1
SCHEMBL1086028 0.77 KMT2A (0.56) MAPTTSHRHSD17B10KMT2AALDH1A1
SCHEMBL1720659 0.74 KMT2A (0.54) MAPTTSHRHSD17B10KMT2AALDH1A1
SCHEMBL9826167 0.74 MAPT (0.48) MAPTTSHRHSD17B10KMT2AALDH1A1
SCHEMBL20892464 0.72 MAPT (0.47) MAPTTSHRHSD17B10KMT2AALDH1A1
SCHEMBL2809243 0.72 MAPT (0.56) MAPTTSHRHSD17B10KMT2AALDH1A1

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-0361961-B1 Organic componds and their use as pharmaceuticals LILLY SA (ES) 1994-02-02 EP disclosed
US-5041461-A Organic compounds and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1991-08-20 US disclosed