SCHEMBL8892358

SCHEMBL8892358

Cn1ccc(C(=O)NCCC(=O)CCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.58
LIPC P11150 1/20 0.58
BRD4 O60885 2/20 0.38
LMNA P02545 1/20 0.38
CRBN Q96SW2 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALOX5 P09917 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8333003 0.93 LIPG (0.55) LIPGLIPCBRD4LMNACRBN
SCHEMBL8912311 0.89 LIPG (0.67) LIPGLIPCKDM4EALOX5TSHR
SCHEMBL6858842 0.89 LIPG (0.67) LIPGLIPCBRD4KDM4EALOX5
SCHEMBL6865227 0.88 LIPG (0.65) LIPGLIPCLMNAKDM4EALOX5
SCHEMBL19577104 0.88 LIPG (0.58) LIPGLIPCBRD4LMNACRBN
SCHEMBL29785646 0.88 LIPG (0.58) LIPGLIPCBRD4ALOX5ALDH1A1
SCHEMBL6862929 0.88 LIPG (0.58) LIPGLIPCBRD4ALOX5ALDH1A1
SCHEMBL7043047 0.88 LIPG (0.65) LIPGLIPCLMNAKDM4EALOX5
SCHEMBL13339886 0.86 LIPG (0.57) LIPGLIPCBRD4LMNACRBN
SCHEMBL8334416 0.85 LIPG (0.62) LIPGLIPCLMNAALOX5ALDH1A1

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
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