SCHEMBL8202706

SCHEMBL8202706

C=[N+]([O-])c1ccc(N2C(=O)C3(CCN(C(=O)c4ccc5c(c4)OCCCO5)CC3)C2c2ccc(O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 7/20 0.40
TSHR P16473 3/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MGLL Q99685 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CHRNA7 P36544 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL12876080 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL12877125 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL8209996 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL14263426 0.80 CACNA1H (0.49) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL8209769 0.80 MEN1 (0.44) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL8209593 0.79 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL12876128 0.79 MEN1 (0.45) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL8202475 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL12876090 0.78 CACNA1H (0.48) ALDH1A1SMN1; SMN2MAPTHPGDTSHR
SCHEMBL8202103 0.78 CACNA1H (0.45) ALDH1A1SMN1; SMN2MAPTHPGDTSHR

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-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed