SCHEMBL990889

SCHEMBL990889

Cc1ccccc1OOC(=O)NC1CC(C)(C)CC(C)(CNC(=O)Oc2ccccc2C)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
EZH2 Q15910 2/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
EPHX1 P07099 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HPGD P15428 1/20 0.32

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 0.93 TSHR (0.59) TSHREZH2MEN1KMT2AUSP2
SCHEMBL29914212 0.93 TSHR (0.59) TSHREZH2MEN1KMT2AUSP2
SCHEMBL15093963 0.90 TSHR (0.52) TSHREZH2MEN1KMT2AUSP2
SCHEMBL29914217 0.90 TSHR (0.52) TSHREZH2MEN1KMT2AUSP2
SCHEMBL6526426 0.90 TSHR (0.55) TSHREZH2MEN1KMT2AUSP2
SCHEMBL1953902 0.85 TSHR (0.57) TSHREZH2MEN1KMT2AUSP2
SCHEMBL30409767 0.85 TSHR (0.57) TSHREZH2MEN1KMT2AUSP2
SCHEMBL15482368 0.82 TSHR (0.53) TSHREZH2MEN1KMT2AUSP2
SCHEMBL989495 0.81 TSHR (0.58) TSHREZH2USP2TDP1SSTR1
SCHEMBL1022340 0.81 TSHR (0.60) TSHREZH2TDP1

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-2275405-A1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE Asahi Kasei Chemicals Corporation (JP) 2011-01-19 EP disclosed