SCHEMBL7043047

SCHEMBL7043047

Cn1ccc(C(=O)NCCCCCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.65
LIPC P11150 1/20 0.65
ALOX5 P09917 2/20 0.51
NAAA Q02083 2/20 0.47
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HCRTR1 O43613 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
SCHEMBL6865227 1.00 LIPG (0.65) LIPGLIPCALOX5NAAATSHR
SCHEMBL8912311 0.98 LIPG (0.67) LIPGLIPCALOX5NAAATSHR
SCHEMBL6858842 0.95 LIPG (0.67) LIPGLIPCALOX5NAAATSHR
SCHEMBL8333948 0.94 LIPG (0.60) LIPGLIPCALOX5NAAATSHR
SCHEMBL8336135 0.93 LIPG (0.61) LIPGLIPCALOX5NAAATSHR
SCHEMBL8334416 0.91 LIPG (0.62) LIPGLIPCALOX5NAAATSHR
SCHEMBL6862929 0.88 LIPG (0.58) LIPGLIPCALOX5NAAATSHR
SCHEMBL19577104 0.88 LIPG (0.58) LIPGLIPCALOX5TSHRHTT
SCHEMBL29785646 0.88 LIPG (0.58) LIPGLIPCALOX5NAAATSHR
SCHEMBL8892358 0.88 LIPG (0.58) LIPGLIPCALOX5TSHRHTT

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
EP-0840727-B1 3-HYDROXY-2(1H)-PYRIDINONE CHELATING AGENTS UNIV CALIFORNIA (US) 2004-05-06 EP disclosed
US-5624901-A CARBAMOYL SUBSTITUTED COMPOUNDS FOR CHELATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-04-29 US disclosed