SCHEMBL8620052

SCHEMBL8620052

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.38
▸ THRA P10827 3/20 0.38
▸ THRB P10828 3/20 0.38
▸ KDM5A P29375 7/20 0.36
▸ KDM4A O75164 3/20 0.36
▸ ING2 Q9H160 1/20 0.36
▸ EYA3 Q99504 3/20 0.35
▸ TTR P02766 2/20 0.35
▸ ABCB11 O95342 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ BIRC5 O15392 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PGR P06401 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
SCHEMBL8621011 0.89 PTPN1 (0.44) CYP2C9THRBEYA3TTRABCB11
SCHEMBL8618898 0.84 THRA (0.55) CYP2C9THRATHRBKDM5AKDM4A
SCHEMBL8625009 0.81 MMP12 (0.37) CYP2C9THRATHRBTP53MAPK1
SCHEMBL8622615 0.80 MAPT (0.40) THRBLMNAALDH1A1TP53CYP1A2
SCHEMBL8624484 0.74 PTPN1 (0.47) CYP2C9THRATHRBKDM5AKDM4A
SCHEMBL8619761 0.74 PTPN1 (0.42) EYA3LMNAPTPN1MAPK1HTT
SCHEMBL8620047 0.72 THRA (0.39) CYP2C9THRATHRBEYA3LMNA
SCHEMBL8621631 0.70 THRA (0.52) CYP2C9THRATHRBKDM5AKDM4A
SCHEMBL8622283 0.70 THRA (0.56) CYP2C9THRATHRBKDM5AKDM4A
SCHEMBL8618731 0.70 MAPT (0.41) THRBLMNAPTPN1ALDH1A1TP53

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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