SCHEMBL9410374

SCHEMBL9410374

CC(=O)OC(COC(=O)c1ccc(C(C)(C)C)cc1)CN1C(C)(C)CC(OC(=O)c2ccccc2)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.41
BCHE P06276 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 2/20 0.37
F2 P00734 1/20 0.37
ESR1 P03372 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRNA7 P36544 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 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
SCHEMBL9410264 0.90 TSHR (0.48) TSHRKMT2AGAAALDH1A1MEN1
SCHEMBL9410319 0.89 TSHR (0.57) TSHRKMT2AGAAALDH1A1MEN1
SCHEMBL9410279 0.87 TSHR (0.47) TSHRKMT2AGAABCHEALDH1A1
SCHEMBL9410336 0.85 TSHR (0.48) TSHRKMT2AGAAALDH1A1MEN1
SCHEMBL11180464 0.85 TSHR (0.57) TSHRKMT2AGAAALDH1A1MEN1
SCHEMBL9410354 0.85 TSHR (0.57) TSHRKMT2AGAAALDH1A1MEN1
SCHEMBL11184014 0.84 TSHR (0.54) TSHRKMT2AGAAALDH1A1MEN1
SCHEMBL9410320 0.83 TSHR (0.48) TSHRKMT2AGAAALDH1A1MEN1
SCHEMBL9410390 0.83 TSHR (0.55) TSHRKMT2AGAAALDH1A1MEN1
SCHEMBL9410302 0.81 TSHR (0.47) TSHRKMT2AGAAALDH1A1MAPT

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