SCHEMBL8623799

SCHEMBL8623799

COc1ccc(Cc2c(C(C)C)oc3ccc(NS(=O)(=O)C(F)(F)F)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ TP53 P04637 4/20 0.45
▸ PPARA Q07869 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ VKORC1 Q9BQB6 1/20 0.37
▸ HSPD1 P10809 1/20 0.37
▸ HSPE1 P61604 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL8624288 0.89 HSPD1 (0.39) MAPTTP53SMN1; SMN2PTGS1HSPD1
SCHEMBL8617759 0.82 HSPD1 (0.37) MAPTTP53SMN1; SMN2HSPD1HSPE1
SCHEMBL8623584 0.78 THRA (0.49) MAPTTP53SMN1; SMN2ALDH1A1HSPD1
SCHEMBL8666540 0.76 MMP12 (0.36) MAPTTP53SMN1; SMN2PTPN1HSPD1
SCHEMBL8619740 0.75 VKORC1 (0.42) MAPTSMN1; SMN2ALDH1A1MTNR1AMTNR1B
SCHEMBL8889871 0.70 MAP2K1 (0.42) MAPTSMN1; SMN2ALDH1A1MTNR1AMTNR1B
SCHEMBL15116359 0.70 PTPN1 (0.73) MAPTPPARASMN1; SMN2ALDH1A1PTPN1
SCHEMBL8666536 0.67 MAPT (0.34) MAPTTP53SMN1; SMN2HSPD1HSPE1
SCHEMBL8624230 0.66 THRA (0.48) MAPTTP53SMN1; SMN2POLB
SCHEMBL6477257 0.65 IDO1 (0.43) MAPTPPARASMN1; SMN2ALDH1A1LMNA

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 4 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
EP-0775129-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1997-05-28 — — EP disclosed
WO-1996005190-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1996-02-22 — — WO disclosed
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