SCHEMBL4780130

SCHEMBL4780130

COC[C@@H]1CN(c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.52
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GRM5 P41594 3/20 0.47
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL4781009 1.00 SCD (0.52) SCDLMNAKDM4ESMN1; SMN2GRM5
SCHEMBL4728133 0.91 SCD (0.53) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL4778897 0.91 SCD (0.53) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL14261415 0.90 SCD (0.53) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL14261331 0.88 SCD (0.52) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL4783924 0.85 SCD (0.51) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL14261408 0.85 SCD (0.51) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL14261407 0.85 SCD (0.50) SCDLMNAKDM4ESMN1; SMN2HTT
SCHEMBL14261330 0.82 SCD (0.54) SCD
SCHEMBL14261405 0.80 ALDH1A1 (0.54) LMNAKDM4ESMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO claimed
WO-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO disclosed
WO-2008029266-A1 STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-03-13 WO disclosed