SCHEMBL4783498

SCHEMBL4783498

O=C(c1cc(C(F)(F)F)ccc1F)N1CCN(c2ccc(N3C[C@H](CO)OC3=O)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 4/20 0.49
ALDH1A1 P00352 3/20 0.46
GLA P06280 1/20 0.46
CALML3 P27482 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARP1 P09874 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL14261404 1.00 KDM4E (0.49) KDM4ELMNASMN1; SMN2HTTALDH1A1
SCHEMBL4778897 0.83 SCD (0.53) KDM4ELMNASMN1; SMN2HTT
SCHEMBL4728133 0.83 SCD (0.53) KDM4ELMNASMN1; SMN2HTT
SCHEMBL4727825 0.81 CALML3 (0.43) KDM4ELMNASMN1; SMN2HTTALDH1A1
SCHEMBL14261642 0.81 CALML3 (0.43) KDM4ELMNASMN1; SMN2HTTALDH1A1
SCHEMBL4783416 0.81 HSD17B10 (0.53) KDM4ELMNAALDH1A1CALML3MEN1
SCHEMBL14261405 0.79 ALDH1A1 (0.54) KDM4ELMNASMN1; SMN2HTTALDH1A1
SCHEMBL14261606 0.79 F10 (0.47) CALML3CYP2C9CYP2C19MAOAMAOB
SCHEMBL14261415 0.78 SCD (0.53) KDM4ELMNASMN1; SMN2HTT
SCHEMBL4728322 0.77 GAA (0.54) KDM4ELMNASMN1; 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 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