SCHEMBL9410264

SCHEMBL9410264

CC(=O)OC(COc1ccc(C(C)(C)C)cc1)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KMT2A Q03164 4/20 0.44
MEN1 O00255 1/20 0.42
AR P10275 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35

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
SCHEMBL9410336 0.95 TSHR (0.48) TSHRKMT2AMEN1ARGAA
SCHEMBL9410390 0.92 TSHR (0.55) TSHRKMT2AMEN1GAAMAPT
SCHEMBL9410374 0.90 TSHR (0.49) TSHRKMT2AMEN1GAAMAPT
SCHEMBL11179679 0.90 TSHR (0.46) TSHRKMT2AMEN1ARGAA
SCHEMBL9410302 0.88 TSHR (0.47) TSHRKMT2AGAAMAPTPOLB
SCHEMBL9410286 0.87 KMT2A (0.54) TSHRKMT2AMEN1GAAMAPT
SCHEMBL9410320 0.86 TSHR (0.48) TSHRKMT2AMEN1GAAMAPT
SCHEMBL11179609 0.85 AR (0.52) TSHRKMT2AMEN1ARGAA
SCHEMBL11180464 0.84 TSHR (0.57) TSHRKMT2AMEN1GAAPOLB
SCHEMBL9410354 0.84 TSHR (0.57) TSHRKMT2AMEN1GAAPOLB

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-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 EP disclosed