SCHEMBL1839762

SCHEMBL1839762

CC1(C)CC(NC(=O)OCCCCc2ccccc2)CC(C)(CNC(=O)OCCCCc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
NAAA Q02083 10/20 0.49
FKBP1A P62942 1/20 0.45
EPHX1 P07099 1/20 0.44

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
SCHEMBL18092110 0.95 TSHR (0.52) TSHRNAAAFKBP1A
SCHEMBL17552038 0.93 TSHR (0.59) TSHRNAAA
SCHEMBL17346755 0.89 TSHR (0.58) TSHREPHX1
SCHEMBL17346785 0.87 TSHR (0.64) TSHREPHX1
SCHEMBL17864855 0.86 TSHR (0.62) TSHREPHX1
SCHEMBL17863592 0.86 TSHR (0.63) TSHREPHX1
SCHEMBL17552050 0.85 TSHR (0.65) TSHREPHX1
SCHEMBL17552067 0.85 TSHR (0.58) TSHR
SCHEMBL17346780 0.85 TSHR (0.58) TSHR
SCHEMBL17346783 0.84 TSHR (0.55) TSHREPHX1

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