SCHEMBL7350727

SCHEMBL7350727

COc1ccc(S(=O)(=O)c2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.46
THRB P10828 8/20 0.45
THRA P10827 7/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
CA5A P35218 1/20 0.43
GAA P10253 2/20 0.41
RORC P51449 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
NFKB1 P19838 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7343576 0.90 ALDH1A1 (0.42) NR3C1THRBTHRAALDH1A1TSHR
SCHEMBL7352158 0.86 ALDH1A1 (0.41) NR3C1THRBTHRAALDH1A1TSHR
SCHEMBL7256710 0.85 THRB (0.59) THRBTHRA
SCHEMBL7256723 0.84 CA5A (0.44) NR3C1THRBTHRAALDH1A1TSHR
SCHEMBL7348710 0.84 ALDH1A1 (0.41) THRBTHRAALDH1A1TSHRRORC
SCHEMBL7351859 0.81 ALDH1A1 (0.38) NR3C1THRBTHRAALDH1A1TSHR
SCHEMBL7351863 0.81 KMT2A (0.41) THRBTHRAALDH1A1TSHRRORC
SCHEMBL7351856 0.81 RORC (0.38) NR3C1THRBTHRAALDH1A1TSHR
SCHEMBL7256735 0.78 PTGDR2 (0.47) THRBTHRAALDH1A1TSHRCA5A
SCHEMBL7351410 0.77 THRA (0.47) THRBTHRAALDH1A1GAA

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-5284971-A No cardiac side effects SYNTEX (U.S.A.) INC. (US) 1994-02-08 US disclosed