SCHEMBL8888933

SCHEMBL8888933

CC(C)(C)OOC(=O)OCCCN1C(=O)C=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.43
FAAH O00519 5/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSP90AA1 P07900 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
PTGS1 P23219 7/20 0.41

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
SCHEMBL8888253 0.91 MGLL (0.44) MGLLFAAHALDH1A1HPGDLMNA
SCHEMBL8888162 0.82 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL7096979 0.82 MGLL (0.58) MGLLFAAHALDH1A1HPGDLMNA
SCHEMBL8888140 0.78 MGLL (0.52) MGLLFAAHALDH1A1HPGDLMNA
SCHEMBL5361313 0.77 MGLL (0.61) MGLLFAAHALDH1A1HPGDLMNA
SCHEMBL7099234 0.76 MGLL (0.58) MGLLFAAHALDH1A1HPGDLMNA
SCHEMBL8088363 0.76 MGLL (0.54) MGLLFAAHALDH1A1HPGDLMNA
SCHEMBL5345848 0.76 MGLL (0.63) MGLLFAAHALDH1A1HPGDLMNA
SCHEMBL11063862 0.75 NAAA (0.38) ALDH1A1
SCHEMBL847228 0.75 NAAA (0.38) ALDH1A1

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-1997003961-A1 IMIDO PEROXIDES AS INITIATORS OF POLYMERIZATION PROCESSES AKZO NOBEL N.V. (NL) 1997-02-06 WO disclosed