SCHEMBL8624542

SCHEMBL8624542

COc1ccc(C(=O)Nc2ccc3oc(C(C)C)c(C(=O)c4cc(Br)c(OCC(=O)O)c(Br)c4)c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASF1A Q9Y294 1/20 0.44
▸ TP53 P04637 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NR1H4 Q96RI1 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HPSE Q9Y251 1/20 0.39

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
SCHEMBL8618947 0.92 ASF1A (0.42) ASF1AMAPTNR1H4THRBSLC22A12
SCHEMBL8617561 0.90 THRB (0.47) TP53MAPTTHRBNPC1RAB9A
SCHEMBL8618728 0.87 MAPT (0.39) ASF1ATP53MAPTTHRBSLC22A12
SCHEMBL8618731 0.86 MAPT (0.41) TP53MAPTTHRBSLC22A12NPC1
SCHEMBL8622473 0.85 THRA (0.51) THRBSLC22A12
SCHEMBL8764634 0.83 NR1H4 (0.45) MAPTNR1H4THRBSLC22A12PTPN1
SCHEMBL8622612 0.82 THRB (0.37) TP53MAPTTHRBSLC22A12NPC1
SCHEMBL8617540 0.82 THRA (0.49) ASF1ATP53THRBSLC22A12ALDH1A1
SCHEMBL8764638 0.82 SMN1; SMN2 (0.52) ASF1ATP53MAPTNPC1RAB9A
SCHEMBL8763724 0.80 THRA (0.49) TP53MAPTTHRBSLC22A12SMN1; SMN2

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 6 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 claimed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 — — EP claimed
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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