SCHEMBL7202116

SCHEMBL7202116

CCc1cc(CC(N)C(=O)O)cc(CC)c1Oc1ccc(O)c(C(C)C)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.79
THRA P10827 12/20 0.79
LMNA P02545 2/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 1/20 0.57
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
ABCB11 O95342 1/20 0.57
F2 P00734 1/20 0.57
PCNA P12004 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRB1 P18505 1/20 0.57
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
ADORA1 P30542 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
PPARG P37231 1/20 0.57
GABRA2 P47869 1/20 0.57

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
SCHEMBL7202122 1.00 THRB (0.79) THRBTHRALMNACYP2D6TSHR
SCHEMBL7277669 0.90 THRB (0.84) THRBTHRALMNACYP2D6TSHR
SCHEMBL7277661 0.90 THRB (0.84) THRBTHRALMNACYP2D6TSHR
SCHEMBL3219497 0.88 THRB (1.00) THRBTHRALMNACYP2D6TSHR
SCHEMBL3219487 0.88 THRB (1.00) THRBTHRALMNACYP2D6TSHR
SCHEMBL5549652 0.88 THRB (1.00) THRBTHRALMNACYP2D6TSHR
SCHEMBL5549347 0.86 THRB (0.79) THRBTHRA
SCHEMBL9170207 0.86 THRB (1.00) THRBTHRALMNACYP2D6TSHR
SCHEMBL5549351 0.86 THRB (0.79) THRBTHRA
SCHEMBL9619560 0.86 THRB (1.00) THRBTHRALMNACYP2D6TSHR

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
EP-0831769-B1 NOVEL USES FOR THYROID HORMONES OR THYROID HORMONE-LIKE COMPOUNDS KAROBIO AB (SE) 2003-10-15 EP claimed