SCHEMBL11522285

SCHEMBL11522285

COC(=O)c1sc(OC)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 3/20 0.42
XDH P47989 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40

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
SCHEMBL10860085 0.82 GPR35 (0.41) MAPTKMT2ACYP3A4HPGDPOLB
SCHEMBL7670938 0.78 TSHR (0.45) MAPTTSHRKMT2AHSD17B10CYP3A4
SCHEMBL577650 0.78 MAPT (0.45) MAPTTSHRKMT2AHSD17B10CYP3A4
SCHEMBL9529269 0.78 TSHR (0.45) MAPTTSHRKMT2AHSD17B10CYP3A4
SCHEMBL577651 0.77 MAPT (0.44) MAPTTSHRKMT2AHSD17B10CYP3A4
SCHEMBL1374020 0.77 TSHR (0.44) MAPTTSHRKMT2AHSD17B10CYP3A4
SCHEMBL8033005 0.77 LMNA (0.41) MAPTTSHRKMT2AHSD17B10CYP3A4
SCHEMBL3686211 0.74 RAF1 (0.51) MAPTTSHRKMT2AHSD17B10CYP3A4
SCHEMBL9525826 0.74 GSK3B (0.49) MAPTTSHRKMT2AHSD17B10CYP3A4
SCHEMBL12018902 0.74 ALDH1A1 (0.44) MAPTTSHRKMT2AHSD17B10CYP3A4

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
US-4155996-A PESTICIDES ROUSSEL UCLAF (FR) 1979-05-22 US disclosed
US-4128562-A PESTICIDE ROUSSEL UCLAF (FR) 1978-12-05 US disclosed