SCHEMBL5859480

SCHEMBL5859480

COc1ccc(Oc2c(Br)cc(CCC(=O)O)cc2Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 15/20 0.64
▸ THRB P10828 15/20 0.64
▸ FFAR1 O14842 3/20 0.54
▸ PCNA P12004 2/20 0.53
▸ ESR1 P03372 1/20 0.50
▸ NR3C1 P04150 1/20 0.50
▸ PGR P06401 1/20 0.50
▸ NR3C2 P08235 1/20 0.50
▸ AR P10275 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL5073534 0.86 THRA (0.60) THRATHRBFFAR1PCNAESR1
SCHEMBL5859452 0.85 THRB (0.62) THRATHRB
SCHEMBL14553370 0.84 FFAR1 (0.55) THRATHRBFFAR1PCNAPOLB
SCHEMBL14485308 0.83 PCNA (0.77) THRATHRBFFAR1PCNAPGR
SCHEMBL5363057 0.81 THRB (0.76) THRATHRB
SCHEMBL28801013 0.81 THRA (0.56) THRATHRBFFAR1PCNAESR1
SCHEMBL5074381 0.81 THRA (0.56) THRATHRBFFAR1PCNAESR1
SCHEMBL4528982 0.80 THRA (0.49) THRATHRB
SCHEMBL12312510 0.79 THRB (0.50) THRATHRB
SCHEMBL5282025 0.78 THRB (0.52) THRATHRB

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-7144909-B2 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2006-12-05 — — US disclosed
US-20040116387-A1 Phenoxy substituted benzocondensed heteroaryl derivatives as thyroid receptor ligands KARO BIO AB (SE) 2004-06-17 — — US disclosed
Send feedback