SCHEMBL29914217

SCHEMBL29914217

Cc1cccc(OOC(=O)NC2CC(C)(C)CC(C)(CNC(=O)Oc3cccc(C)c3C)C2)c1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
EZH2 Q15910 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.31
THRB P10828 1/20 0.31
CCR2 P41597 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL15093963 1.00 TSHR (0.52) TSHREZH2TDP1KMT2AMEN1
SCHEMBL30409767 0.93 TSHR (0.57) TSHREZH2TDP1KMT2AMEN1
SCHEMBL1953902 0.93 TSHR (0.57) TSHREZH2TDP1KMT2AMEN1
SCHEMBL990889 0.90 TSHR (0.54) TSHREZH2TDP1KMT2AMEN1
SCHEMBL15482368 0.90 TSHR (0.53) TSHREZH2TDP1KMT2AMEN1
SCHEMBL29914212 0.85 TSHR (0.59) TSHREZH2TDP1KMT2AMEN1
SCHEMBL982145 0.85 TSHR (0.59) TSHREZH2TDP1KMT2AMEN1
SCHEMBL30409019 0.84 TSHR (0.58) TSHREZH2TDP1KMT2AMEN1
SCHEMBL29840056 0.83 TSHR (0.39) TSHREZH2KMT2AALDH1A1GAA
SCHEMBL6526426 0.82 TSHR (0.55) TSHREZH2TDP1KMT2AMEN1

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-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed