SCHEMBL21241453

SCHEMBL21241453

COC(O)N1CCCC[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ACE P12821 6/20 0.36
REN P00797 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 1/20 0.36
LTA4H P09960 1/20 0.36
MAPT P10636 1/20 0.36
PEPD P12955 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
HRH1 P35367 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL58639 0.78 ACE (0.44) RAB9AALDH1A1ACERENLMNA
SCHEMBL584217 0.78 ACE (0.44) RAB9AALDH1A1ACERENLMNA
SCHEMBL584218 0.78 ACE (0.44) RAB9AALDH1A1ACERENLMNA
SCHEMBL27577641 0.78 RAB9A (0.41) SMN1; SMN2RAB9AALDH1A1ACEREN
SCHEMBL14104056 0.77 HSD17B10 (0.44) SMN1; SMN2RAB9AALDH1A1ACEREN
SCHEMBL28225249 0.77 ACE (0.36) RAB9AALDH1A1ACERENLMNA
SCHEMBL59537 0.75 ACE (0.41) RAB9AALDH1A1ACERENLMNA
SCHEMBL22966485 0.75 ACE (0.41) RAB9AALDH1A1ACERENLMNA
SCHEMBL14211021 0.75 ACE (0.41) RAB9AALDH1A1ACERENLMNA
SCHEMBL18897108 0.75 ACE (0.41) RAB9AALDH1A1ACERENLMNA

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-2019152527-A1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-08 WO disclosed