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SCHEMBL5717841

SCHEMBL5717841

CC(C)Nc1cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)cc(C(F)(F)F)c1.CC(C)Nc1cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.39
▸ MRGPRX4 Q96LA9 14/20 0.38
▸ RHOC P08134 1/20 0.37
▸ RHOA P61586 1/20 0.37
▸ THRB P10828 2/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ THRA P10827 1/20 0.35

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
SCHEMBL4923555 0.95 MRGPRX4 (0.41) MRGPRX4RHOCRHOATRPA1
SCHEMBL5718096 0.93 MRGPRX4 (0.38) PPARDMRGPRX4RHOCRHOATHRB
SCHEMBL4926924 0.92 PPARD (0.45) PPARDMRGPRX4THRBTRPA1THRA
SCHEMBL5722548 0.91 PPARD (0.39) PPARDMRGPRX4RHOCRHOATHRB
SCHEMBL5718279 0.91 PPARD (0.41) PPARDMRGPRX4RHOCRHOATHRB
SCHEMBL5722472 0.90 THRB (0.41) PPARDMRGPRX4RHOCRHOATHRB
SCHEMBL5717889 0.89 MRGPRX4 (0.40) PPARDMRGPRX4RHOCRHOATHRB
SCHEMBL5717845 0.89 MRGPRX4 (0.38) MRGPRX4RHOCRHOATRPA1
SCHEMBL5717974 0.88 TRPA1 (0.42) PPARDMRGPRX4RHOCRHOATHRB
SCHEMBL4933436 0.88 MRGPRX4 (0.40) MRGPRX4RHOCRHOA

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-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 — — EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 — — WO disclosed