SCHEMBL18092124

SCHEMBL18092124

CC(C)c1cccc(C(C)C)c1OC(=O)NCC1(C)CC(NC(=O)O)CC(C)(C)C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.41
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 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
SCHEMBL1838093 0.94 TSHR (0.57) TSHRTDP1SCN5ASCN9ASCN10A
SCHEMBL2934221 0.87 TSHR (0.56) TSHRTDP1
SCHEMBL2928800 0.85 TSHR (0.54) TSHRTDP1
SCHEMBL16770284 0.84 TSHR (0.56) TSHRTDP1
SCHEMBL2932515 0.83 TSHR (0.51) TSHRTDP1
SCHEMBL31093941 0.83 TSHR (0.58) TSHRTDP1
SCHEMBL1022340 0.82 TSHR (0.60) TSHRTDP1
SCHEMBL1021703 0.81 TSHR (0.56) TSHRTDP1
SCHEMBL15482368 0.80 TSHR (0.53) TSHRTDP1
SCHEMBL6526426 0.80 TSHR (0.55) TSHRTDP1

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-2322504-B9 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 CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 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 CHEMICAL IND (JP) 2016-09-28 EP disclosed