SCHEMBL8618731

SCHEMBL8618731

CCC(Oc1c(Br)cc(C(=O)c2c(C(C)C)oc3ccc(NC(=O)c4ccc(OC)cc4)cc23)cc1Br)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ TP53 P04637 5/20 0.41
▸ SLC22A12 Q96S37 2/20 0.41
▸ THRB P10828 2/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ SMN1; SMN2 Q16637 5/20 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
▸ NPSR1 Q6W5P4 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

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
SCHEMBL8622615 0.91 MAPT (0.40) MAPTTP53SLC22A12THRBNPC1
SCHEMBL8620718 0.87 SLC22A12 (0.45) SLC22A12
SCHEMBL8624542 0.86 ASF1A (0.44) MAPTTP53SLC22A12THRBNPC1
SCHEMBL8621011 0.80 PTPN1 (0.44) MAPTSLC22A12THRBPTPN1SMN1; SMN2
SCHEMBL8618947 0.78 ASF1A (0.42) MAPTSLC22A12THRBPTPN1
SCHEMBL8617561 0.78 THRB (0.47) MAPTTP53THRBNPC1RAB9A
SCHEMBL8623692 0.78 THRA (0.47) THRB
SCHEMBL8619761 0.77 PTPN1 (0.42) SLC22A12NPC1RAB9APTPN1CYP2C19
SCHEMBL8618728 0.77 MAPT (0.39) MAPTTP53SLC22A12THRBNPC1
SCHEMBL8622473 0.73 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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