SCHEMBL9410294

SCHEMBL9410294

CC(C)(C)c1cc(CCC(=O)OCC(O)CN2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 5/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 5/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
MEN1 O00255 2/20 0.36
CHRNA7 P36544 1/20 0.35
ABCB1 P08183 2/20 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
SCHEMBL9410314 0.96 TSHR (0.38) TSHRMAOBMAOAACHEGAA
SCHEMBL9410297 0.84 TSHR (0.45) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL6453784 0.81 GAA (0.48) TSHRMAOBMAOAACHEGAA
SCHEMBL11296773 0.80 KMT2A (0.41) TSHRMAOBMAOAACHEGAA
SCHEMBL9410279 0.80 TSHR (0.47) TSHRGAAALDH1A1KMT2AADRB2
SCHEMBL9413672 0.79 MAOB (0.41) MAOBMAOAACHEGAAALDH1A1
SCHEMBL11176796 0.79 KMT2A (0.39) GAAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL9410284 0.79 ALDH1A1 (0.48) TSHRGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL2958675 0.77 ALOX5 (0.44) MAOBMAOAACHEGAAALDH1A1
SCHEMBL11175662 0.77 TSHR (0.55) TSHRGAAKMT2AMEN1CHRNA7

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