SCHEMBL9507974

SCHEMBL9507974

CCCCCCCCCCCCSCC(CCCCCCCC)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CYSLTR2 Q9NS75 6/20 0.39
CYSLTR1 Q9Y271 6/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NAAA Q02083 1/20 0.35
CSNK1E P49674 1/20 0.35

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
SCHEMBL6535285 0.93 TSHR (0.43) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL6535240 0.93 TSHR (0.43) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL6534841 0.91 TSHR (0.44) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL6534892 0.86 TSHR (0.46) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL984167 0.85 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL982098 0.85 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL983265 0.85 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL983333 0.85 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL981726 0.85 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2
SCHEMBL983633 0.85 TSHR (0.50) TSHRCYSLTR2CYSLTR1GABRA1GABRB2

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-0282433-B1 AUTOSYNERGISTIC PHENOLIC ANTIOXIDANT REACTION PRODUCT THE GOODYEAR TIRE & RUBBER COMPANY (US) 1993-08-11 EP disclosed
EP-0282433-A2 Autosynergistic phenolic antioxidant reaction product THE GOODYEAR TIRE & RUBBER COMPANY (US) 1988-09-14 EP disclosed
US-4707300-A PHENOLIC RESINS MODIFIED WITH MERCAPTAINS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1987-11-17 US disclosed