SCHEMBL8618728

SCHEMBL8618728

CCc1c(Br)cc(C(=O)c2c(C(C)C)oc3ccc(NC(=O)c4ccc(OC)cc4)cc23)c(OCC(=O)O)c1Br

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ASF1A Q9Y294 1/20 0.38
▸ SLC22A12 Q96S37 5/20 0.37
▸ THRB P10828 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL8620714 0.87 THRA (0.45) THRB
SCHEMBL8624542 0.87 ASF1A (0.44) MAPTTP53ASF1ASLC22A12THRB
SCHEMBL8622612 0.87 THRB (0.37) MAPTTP53SLC22A12THRBNPC1
SCHEMBL8617561 0.82 THRB (0.47) MAPTTP53THRBNPC1ALDH1A1
SCHEMBL8621007 0.81 NR1H4 (0.36) SLC22A12THRBALDH1A1KDM4EPTPN1
SCHEMBL8618947 0.80 ASF1A (0.42) MAPTASF1ASLC22A12THRBPTPN1
SCHEMBL8619759 0.79 HTT (0.35) MAPTSLC22A12THRBNPC1KDM4E
SCHEMBL8618731 0.77 MAPT (0.41) MAPTTP53SLC22A12THRBNPC1
SCHEMBL8617540 0.75 THRA (0.49) TP53ASF1ASLC22A12THRBALDH1A1
SCHEMBL8622473 0.74 THRA (0.51) SLC22A12THRB

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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