SCHEMBL8209593

SCHEMBL8209593

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
CACNA1H O95180 9/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 4/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12876128 0.89 MEN1 (0.45) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL8209996 0.89 ALDH1A1 (0.46) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL14263426 0.89 CACNA1H (0.49) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL8202103 0.88 CACNA1H (0.45) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL8209769 0.88 MEN1 (0.44) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL12876080 0.87 ALDH1A1 (0.54) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL8202475 0.87 ALDH1A1 (0.47) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL8202773 0.86 TRPV1 (0.47) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL12876090 0.86 CACNA1H (0.48) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2
SCHEMBL12877125 0.86 ALDH1A1 (0.44) ALDH1A1TSHRLMNACACNA1HSMN1; SMN2

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