SCHEMBL18897108

SCHEMBL18897108

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.41
REN P00797 4/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
F2 P00734 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL59537 1.00 ACE (0.41) ACERENKDM4ELMNAHSD17B10
SCHEMBL22966485 1.00 ACE (0.41) ACERENKDM4ELMNAHSD17B10
SCHEMBL14211021 1.00 ACE (0.41) ACERENKDM4ELMNAHSD17B10
SCHEMBL2032006 0.94 ACE (0.46) ACERENKDM4ELMNAHSD17B10
SCHEMBL584218 0.85 ACE (0.44) ACERENKDM4ELMNAHSD17B10
SCHEMBL58639 0.85 ACE (0.44) ACERENKDM4ELMNAHSD17B10
SCHEMBL584217 0.85 ACE (0.44) ACERENKDM4ELMNAHSD17B10
SCHEMBL22966599 0.82 ACE (0.40) ACERENKDM4ELMNAHSD17B10
SCHEMBL28299734 0.81 ACE (0.41) ACERENKDM4ELMNAHSD17B10
SCHEMBL12202698 0.79 L3MBTL1 (0.48) ACERENKDM4ELMNAHSD17B10

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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed