SCHEMBL9211591

SCHEMBL9211591

COc1ccc(/C=C/C(=O)OCCN2C(C)(C)CC(OC(=O)/C=C/c3ccc(OC)cc3)CC2(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.45
GSK3B P49841 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
F3 P13726 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL9211598 1.00 LMNA (0.53) LMNATDP1HTTSMN1; SMN2EGFR
SCHEMBL6948703 0.85 HTT (0.60) LMNATDP1HTTRAB9AMAPK1
SCHEMBL9211985 0.85 HTT (0.60) LMNATDP1HTTRAB9AMAPK1
SCHEMBL6948701 0.85 HTT (0.60) LMNATDP1HTTRAB9AMAPK1
SCHEMBL12590207 0.83 HTT (0.60) LMNATDP1HTTRAB9AMAPK1
SCHEMBL12888653 0.82 HTT (0.56) LMNATDP1HTTRAB9AMAPK1
SCHEMBL9216201 0.81 USP30 (0.36) LMNATDP1HTTSMN1; SMN2RAB9A
SCHEMBL9216205 0.81 USP30 (0.36) LMNATDP1HTTSMN1; SMN2RAB9A
SCHEMBL9207159 0.77 HTT (0.55) LMNATDP1HTTRAB9AGSK3B
SCHEMBL9207163 0.77 HTT (0.55) LMNATDP1HTTRAB9AGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517103-B1 Piperidine derivatives, a process for the preparation thereof and the use thereof 3V SIGMA SPA (IT) 1995-03-01 EP claimed
EP-0517103-A1 Piperidine derivatives, a process for the preparation thereof and the use thereof 3V SIGMA S.p.A (IT) 1992-12-09 EP claimed