SCHEMBL9729344

SCHEMBL9729344

C=C(CCCCCCCCCCC)O[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 5/20 0.38
PTPN1 P18031 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PDE4A P27815 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7505879 1.00 CES2 (0.39) CES2CES1GPR84PPARGPPARD
SCHEMBL20875834 1.00 CES2 (0.39) CES2CES1GPR84PPARGPPARD
SCHEMBL2864499 1.00 CES2 (0.39) CES2CES1GPR84PPARGPPARD
SCHEMBL11350585 0.83
SCHEMBL8730946 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20875840 0.81 SPHK2 (0.40) CES2CES1GPR84PPARGPPARD
SCHEMBL11342107 0.80
SCHEMBL10898312 0.79 LSS (0.40) PPARGALDH1A1MEN1ALOX15KMT2A
SCHEMBL16485010 0.78 TSHR (0.43) TSHRMEN1KMT2A
SCHEMBL10375151 0.77 CES2 (0.46) CES2CES1GPR84PPARGPPARD

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-5162360-A Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1992-11-10 US disclosed