SCHEMBL8622615

SCHEMBL8622615

CCC(Oc1c(I)cc(C(=O)c2c(C(C)C)oc3ccc(NC(=O)c4ccc(OC)cc4)cc23)cc1I)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ TP53 P04637 5/20 0.40
▸ THRB P10828 3/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ SLC1A1 P43005 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 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
SCHEMBL8618731 0.91 MAPT (0.41) MAPTTP53THRBNPC1RAB9A
SCHEMBL8623692 0.87 THRA (0.47) THRB
SCHEMBL8617561 0.86 THRB (0.47) MAPTTP53THRBNPC1RAB9A
SCHEMBL8620052 0.80 CYP2C9 (0.38) TP53THRBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8625009 0.80 MMP12 (0.37) MAPTTP53THRBSMN1; SMN2POLB
SCHEMBL8763724 0.78 THRA (0.49) MAPTTP53THRBSMN1; SMN2ALDH1A1
SCHEMBL8617540 0.78 THRA (0.49) TP53THRBALDH1A1SLC22A12MMP12
SCHEMBL8619478 0.78 THRA (0.48) TP53THRBSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8624542 0.78 ASF1A (0.44) MAPTTP53THRBNPC1RAB9A
SCHEMBL8620718 0.78 SLC22A12 (0.45) SLC22A12

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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