SCHEMBL4728133

SCHEMBL4728133

O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(N3C[C@H](CO)OC3=O)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.53
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.46
DCTPP1 Q9H773 1/20 0.46

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
SCHEMBL4778897 1.00 SCD (0.53) SCDKDM4ELMNASMN1; SMN2HTT
SCHEMBL14261415 0.94 SCD (0.53) SCDKDM4ELMNASMN1; SMN2HTT
SCHEMBL4780130 0.91 SCD (0.52) SCDKDM4ELMNASMN1; SMN2HTT
SCHEMBL4781009 0.91 SCD (0.52) SCDKDM4ELMNASMN1; SMN2HTT
SCHEMBL14261331 0.90 SCD (0.52) SCDKDM4ELMNASMN1; SMN2HTT
SCHEMBL14261405 0.87 ALDH1A1 (0.54) KDM4ELMNASMN1; SMN2HTT
SCHEMBL14261408 0.87 SCD (0.51) SCDKDM4ELMNASMN1; SMN2HTT
SCHEMBL14261642 0.87 CALML3 (0.43) SCDKDM4ELMNASMN1; SMN2HTT
SCHEMBL4783924 0.87 SCD (0.51) SCDKDM4ELMNASMN1; SMN2HTT
SCHEMBL4727825 0.87 CALML3 (0.43) SCDKDM4ELMNASMN1; SMN2HTT

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
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