SCHEMBL8202475

SCHEMBL8202475

O=C(c1ccc2c(c1)OCCCO2)N1CCC2(CC1)C(=O)N(c1ccc(NO)cc1)C2c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CACNA1H O95180 10/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
STING1 Q86WV6 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
GAA P10253 1/20 0.40
MAOB P27338 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
SCHEMBL14263426 0.90 CACNA1H (0.49) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL8209996 0.90 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL8202103 0.89 CACNA1H (0.45) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL12876090 0.88 CACNA1H (0.48) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL12877125 0.88 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL8202773 0.88 TRPV1 (0.47) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL12876080 0.87 ALDH1A1 (0.54) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL8209593 0.87 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL12876128 0.87 MEN1 (0.45) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL8209769 0.86 MEN1 (0.44) ALDH1A1LMNAKDM4EMAPTHTT

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