SCHEMBL1834381

SCHEMBL1834381

CCCCCCCCCCCCc1ccc(OC(=O)NCC2(C)CC(NC(=O)Oc3ccc4ccccc4c3)CC(C)(C)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
FAAH O00519 1/20 0.42
EPHX1 P07099 1/20 0.42
THRB P10828 2/20 0.38
ACHE P22303 2/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL1836551 0.92 TSHR (0.53) TSHRFAAHEPHX1THRBACHE
SCHEMBL1835226 0.92 TSHR (0.53) TSHRFAAHEPHX1THRBACHE
SCHEMBL1836894 0.92 TSHR (0.53) TSHRFAAHEPHX1THRBACHE
SCHEMBL16223099 0.87 TSHR (0.48) TSHREPHX1THRBACHETHRA
SCHEMBL2930346 0.87 TSHR (0.48) TSHREPHX1THRBACHETHRA
SCHEMBL15482332 0.87 TSHR (0.48) TSHREPHX1THRBACHETHRA
SCHEMBL1021566 0.81 TSHR (0.48) TSHRFAAHEPHX1
SCHEMBL1024786 0.81 TSHR (0.48) TSHRFAAHEPHX1
SCHEMBL1309265 0.81 TSHR (0.48) TSHRFAAHEPHX1
SCHEMBL1837298 0.81 TSHR (0.49) TSHRFAAHEPHX1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed