SCHEMBL8623692

SCHEMBL8623692

CCCCc1oc2ccc(NC(=O)c3ccc(OC)cc3)cc2c1C(=O)c1cc(I)c(OC(CC)C(=O)O)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ ABCB1 P08183 1/20 0.45
▸ KDM4A O75164 1/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ ING2 Q9H160 1/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45
▸ EYA3 Q99504 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44

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
SCHEMBL8619478 0.92 THRA (0.48) THRATHRBABCB1KDM4AKDM5A
SCHEMBL8620718 0.91 SLC22A12 (0.45) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL8617598 0.87 THRA (0.51) THRATHRBABCB1KDM4AKDM5A
SCHEMBL8622615 0.87 MAPT (0.40) THRB
SCHEMBL8620054 0.87 THRA (0.65) THRATHRBABCB1KDM4AKDM5A
SCHEMBL8624399 0.83 THRA (0.47) THRATHRBABCB1KDM4AKDM5A
SCHEMBL8618898 0.81 THRA (0.55) THRATHRBABCB1KDM4AKDM5A
SCHEMBL8624417 0.81 THRA (0.48) THRATHRBABCB1KDM4AKDM5A
SCHEMBL8622465 0.80 THRA (0.66) THRATHRBABCB1KDM4AKDM5A
SCHEMBL8622473 0.79 THRA (0.51) THRATHRBSIRT3ESR1PGR

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 2 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
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