SCHEMBL1836071

SCHEMBL1836071

CC1(C)CC(NC(=O)Oc2ccccc2-c2ccccc2)CC(C)(CNC(=O)Oc2ccccc2-c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
EPHX1 P07099 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
FAAH O00519 1/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.35
HCRTR2 O43614 1/20 0.35
LHCGR P22888 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL982145 0.87 TSHR (0.59) TSHREPHX1TDP1USP2MEN1
SCHEMBL29914212 0.87 TSHR (0.59) TSHREPHX1TDP1USP2MEN1
SCHEMBL1840943 0.86 TSHR (0.58) TSHREPHX1FAAHLHCGR
SCHEMBL989495 0.86 TSHR (0.58) TSHREPHX1TDP1USP2HCRTR2
SCHEMBL983463 0.85 TSHR (0.63) TSHRFAAHLHCGR
SCHEMBL6526426 0.84 TSHR (0.55) TSHRTDP1USP2MEN1KMT2A
SCHEMBL1021098 0.84 TSHR (0.53) TSHREPHX1TDP1USP2KDM4E
SCHEMBL990592 0.83 TSHR (0.55) TSHREPHX1TDP1USP2GAA
SCHEMBL1953902 0.83 TSHR (0.57) TSHREPHX1TDP1USP2MEN1
SCHEMBL30409767 0.83 TSHR (0.57) TSHREPHX1TDP1USP2MEN1

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