SCHEMBL4728322

SCHEMBL4728322

O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(N3C[C@H](CO)OC3=O)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
F10 P00742 2/20 0.44
P2RX7 Q99572 10/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CALML3 P27482 1/20 0.40
PAK1 Q13153 1/20 0.40

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
SCHEMBL14261405 0.86 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1MAOAMAOB
SCHEMBL4783416 0.85 HSD17B10 (0.53) KDM4EHSD17B10ALDH1A1HPGDF10
SCHEMBL4728133 0.83 SCD (0.53) KDM4ESMN1; SMN2LMNAHTT
SCHEMBL4778897 0.83 SCD (0.53) KDM4ESMN1; SMN2LMNAHTT
SCHEMBL14261606 0.81 F10 (0.47) F10MAOAMAOBCALML3
SCHEMBL14261417 0.78 CALML3 (0.52) ALDH1A1HPGDF10MAOAMAOB
SCHEMBL14261644 0.78 CALML3 (0.52) ALDH1A1HPGDF10MAOAMAOB
SCHEMBL4783498 0.77 KDM4E (0.49) KDM4EALDH1A1HPGDMAOAMAOB
SCHEMBL14261642 0.77 CALML3 (0.43) KDM4EALDH1A1F10MAOAMAOB
SCHEMBL4727825 0.77 CALML3 (0.43) KDM4EALDH1A1F10MAOAMAOB

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