Sugi Predict

Sugi Predict / Compounds / SCHEMBL5717845

SCHEMBL5717845

SCHEMBL5717845

CC(C)Nc1cc(COc2c(Cl)cc(CC(=O)OC(=O)CNC(=O)c3cc(Cl)c(OCc4cc(NC(C)C)cc(C(F)(F)F)c4)c(Cl)c3)cc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 15/20 0.38
▸ RHOC P08134 3/20 0.37
▸ RHOA P61586 3/20 0.37
▸ TRPA1 O75762 2/20 0.36

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
SCHEMBL5718100 0.93 MRGPRX4 (0.36) MRGPRX4RHOCRHOA
SCHEMBL5722554 0.91 RHOC (0.39) MRGPRX4RHOCRHOA
SCHEMBL5718283 0.91 MRGPRX4 (0.41) MRGPRX4RHOCRHOA
SCHEMBL5722474 0.90 SCN9A (0.39) MRGPRX4RHOCRHOA
SCHEMBL5717841 0.89 PPARD (0.39) MRGPRX4RHOCRHOATRPA1
SCHEMBL5717897 0.89 MRGPRX4 (0.40) MRGPRX4RHOCRHOATRPA1
SCHEMBL5717907 0.89 MAPT (0.35) MRGPRX4
SCHEMBL5717924 0.89 LMNA (0.37) MRGPRX4
SCHEMBL5717981 0.88 TRPA1 (0.40) MRGPRX4RHOCRHOATRPA1
SCHEMBL5722534 0.88 RHOC (0.42) 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