SCHEMBL8333003

SCHEMBL8333003

CCC(=O)CCNC(=O)c1ccn(C)c(=O)c1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.55
LIPC P11150 1/20 0.55
BRD4 O60885 2/20 0.39
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 2/20 0.36
CRBN Q96SW2 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35
CTRB1 P17538 1/20 0.35
CMA1 P23946 1/20 0.35
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 1/20 0.34
IAPP P10997 1/20 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
SCHEMBL8892358 0.93 LIPG (0.58) LIPGLIPCBRD4TSHRHTT
SCHEMBL29785646 0.87 LIPG (0.58) LIPGLIPCBRD4TSHRHTT
SCHEMBL6862929 0.87 LIPG (0.58) LIPGLIPCBRD4TSHRHTT
SCHEMBL8912311 0.85 LIPG (0.67) LIPGLIPCTSHRHTTALOX5
SCHEMBL6858842 0.85 LIPG (0.67) LIPGLIPCBRD4TSHRHTT
SCHEMBL8334416 0.84 LIPG (0.62) LIPGLIPCTSHRHTTLMNA
SCHEMBL19577104 0.84 LIPG (0.58) LIPGLIPCBRD4TSHRHTT
SCHEMBL7043047 0.84 LIPG (0.65) LIPGLIPCTSHRHTTLMNA
SCHEMBL6865227 0.84 LIPG (0.65) LIPGLIPCTSHRHTTLMNA
SCHEMBL8336135 0.83 LIPG (0.61) LIPGLIPCTSHRHTTLMNA

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-5892029-A HIGHLY EFFECTIVE UPON BOTH INJECTION AND ORAL ADMINISTRATION. THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-04-06 US disclosed