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SCHEMBL4563227

SCHEMBL4563227

CC(=O)Nc1cc(Br)c(Oc2ccc3[nH]c(CC(C)C)nc3c2)c(Br)c1.CC(C)Cc1nc2cc(Oc3c(Cl)cc(CC(F)C(=O)O)cc3Cl)ccc2[nH]1.COC(=O)CC(=O)Nc1cc(Br)c(Oc2ccc3[nH]c(CC(C)C)nc3c2)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 14/20 0.37
▸ THRA P10827 11/20 0.37
▸ RORC P51449 5/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL4298149 0.85 THRA (0.46) THRBTHRA
SCHEMBL4305207 0.84 THRB (0.39) THRBTHRARORC
SCHEMBL3981701 0.82 THRA (0.39) THRBTHRA
SCHEMBL3985944 0.82 THRA (0.39) THRBTHRA
SCHEMBL3981706 0.82 THRA (0.39) THRBTHRA
SCHEMBL3975161 0.82 THRA (0.43) THRBTHRAGRIN1GRIN2B
SCHEMBL3979678 0.80 THRA (0.56) THRBTHRA
SCHEMBL3981884 0.77 THRB (0.40) THRBTHRA
SCHEMBL3982085 0.76 GRIN1 (0.35) THRBTHRAGRIN1GRIN2B
SCHEMBL3985584 0.74 THRA (0.35) THRBTHRA

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
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 — — EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 — — WO disclosed