SCHEMBL8625009

SCHEMBL8625009

CCC(Oc1c(I)cc(C(=O)c2c(C(C)C)oc3ccc(NS(=O)(=O)C(F)(F)F)cc23)cc1I)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ MAPT P10636 6/20 0.36
▸ TP53 P04637 5/20 0.36
▸ POLB P06746 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ THRB P10828 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8624417 0.87 THRA (0.48) THRBTHRA
SCHEMBL8666540 0.86 MMP12 (0.36) MMP12MMP13MAPTTP53POLB
SCHEMBL8624230 0.86 THRA (0.48) MMP12MMP13MAPTTP53POLB
SCHEMBL8620052 0.81 CYP2C9 (0.38) TP53SMN1; SMN2CYP2C9THRBHIF1A
SCHEMBL8622615 0.80 MAPT (0.40) MMP12MAPTTP53POLBSMN1; SMN2
SCHEMBL8625007 0.76 THRB (0.34) MMP12MMP13MAPTTP53POLB
SCHEMBL8620706 0.73 THRA (0.66) TP53SMN1; SMN2CYP2C9THRBHIF1A
SCHEMBL8623584 0.72 THRA (0.49) MMP12MMP13MAPTTP53SMN1; SMN2
SCHEMBL8617598 0.70 THRA (0.51) MAPTTP53SMN1; SMN2CYP2C9THRB
SCHEMBL8621011 0.70 PTPN1 (0.44) MAPTPOLBSMN1; SMN2CYP2C9THRB

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-5854282-A 3-benzoyl benzofuran derivatives as thyroid hormone antagonists KARO BIO AB (SE) 1998-12-29 — — US disclosed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 — — EP disclosed
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