SCHEMBL8901151

SCHEMBL8901151

NC(=O)CC1CCC(CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 4/20 0.38
DGAT1 O75907 3/20 0.35
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
HSD11B1 P28845 1/20 0.34
SOAT1 P35610 1/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ESR2 Q92731 1/20 0.33
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
EPHX1 P07099 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1896079 0.89 TDP1 (0.46) TDP1ALOX5DGAT1ANPEPENPEP
SCHEMBL303265 0.89
Hydrochloric Acid SCHEMBL2951045 0.87
SCHEMBL1924098 0.80 EPHX2 (0.41) TDP1
SCHEMBL31113370 0.80 TDP1 (0.39) TDP1ALOX5DGAT1ANPEPENPEP
SCHEMBL8890636 0.80 PLG (0.54) TDP1ALOX5DGAT1ANPEPENPEP
SCHEMBL337975 0.80 EPHX2 (0.41) TDP1
SCHEMBL946981 0.80 TDP1 (0.39) TDP1ALOX5DGAT1ANPEPENPEP
SCHEMBL10052648 0.80 TDP1 (0.39) TDP1ALOX5DGAT1ANPEPENPEP
SCHEMBL338544 0.80 TDP1 (0.39) TDP1ALOX5DGAT1ANPEPENPEP

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-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed