SCHEMBL9778679

SCHEMBL9778679

COc1cc(C2SCCCS2)ccc1OCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 1/20 0.49
TSHR P16473 1/20 0.49
FDPS P14324 1/20 0.48
SIGMAR1 Q99720 6/20 0.47
EBP Q15125 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
TP53 P04637 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL9778629 0.89 SIGMAR1 (0.41) TSHRSIGMAR1EBPTMEM97TP53
SCHEMBL9778660 0.88 APP (0.53) TSHR
SCHEMBL9778530 0.82 PDE4A (0.55) TSHR
SCHEMBL9778888 0.82 APP (0.55) TSHRFDPS
SCHEMBL8064807 0.82 TSHR (0.53) HIF1AEPAS1TSHRFDPSTP53
SCHEMBL9778782 0.80 TSHR (0.57) TSHRTP53
SCHEMBL8058003 0.80 TSHR (0.51) TSHRFDPS
SCHEMBL8057984 0.80 TSHR (0.67) TSHR
SCHEMBL30669513 0.80 TSHR (0.67) TSHR
SCHEMBL9778560 0.79 PDE4A (0.44) TSHR

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed