SCHEMBL8594875

SCHEMBL8594875

CCCCCCCCCc1ccc(O)c(COC(=O)CN)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.56
PPARA Q07869 1/20 0.49
BACE1 P56817 1/20 0.48
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45
TP53 P04637 1/20 0.45
HSPD1 P10809 1/20 0.45
ADRB3 P13945 1/20 0.45
HTR2C P28335 1/20 0.45
HSPE1 P61604 1/20 0.45

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
SCHEMBL21462392 0.79 KAT8 (0.56) KAT8PPARABACE1ESR1ADRA2A
SCHEMBL28362370 0.79 KAT8 (0.64) KAT8PPARABACE1ESR1ADRA2A
SCHEMBL28358737 0.79 KAT8 (0.64) KAT8PPARABACE1ESR1ADRA2A
SCHEMBL1021127 0.79 KAT8 (0.64) KAT8PPARABACE1ESR1ADRA2A
SCHEMBL1021979 0.79 KAT8 (0.64) KAT8PPARABACE1ESR1ADRA2A
SCHEMBL9650041 0.79 KAT8 (0.64) KAT8PPARABACE1ESR1ADRA2A
SCHEMBL9445790 0.79 KAT8 (0.64) KAT8PPARABACE1ESR1ADRA2A
SCHEMBL1023719 0.79 KAT8 (0.64) KAT8PPARABACE1ESR1ADRA2A
SCHEMBL28231260 0.79 KAT8 (0.64) KAT8PPARABACE1ESR1ADRA2A
SCHEMBL11587878 0.79 KAT8 (0.64) KAT8PPARABACE1ESR1ADRA2A

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-1998053893-A1 EXTRACTION AGENTS AND METHOD FOR USE THEREOF HAMPSHIRE CHEMICAL AB (SE) 1998-12-03 WO disclosed