SCHEMBL6061673

SCHEMBL6061673

CCCCCCCCCCCCC(S)(CCCCCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(=O)O.OCC(CO)(CO)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 7/20 0.34
PPARD Q03181 7/20 0.34
PPARA Q07869 7/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
PTPN1 P18031 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL27041405 0.91 CES2 (0.41) CES2KMT2AMAPTGPR84PPARG
SCHEMBL6061671 0.80 MEN1 (0.37) CES2KMT2AMAPTMEN1
SCHEMBL28930152 0.78 CES2 (0.33) CES2KMT2AGPR84PPARGPPARD
SCHEMBL26101912 0.78 CES2 (0.48) CES2KMT2AGPR84PPARGPPARD
SCHEMBL337305 0.78 CES2 (0.48) CES2KMT2AGPR84PPARGPPARD
SCHEMBL31278428 0.77 CES2 (0.36) CES2KMT2AGPR84PPARGPPARD
SCHEMBL13517726 0.76 CES2 (0.47) CES2KMT2AGPR84PPARGPPARD
SCHEMBL28015102 0.75 AKR1B1 (0.46) CES2KMT2AGPR84PPARGPPARD
SCHEMBL13269538 0.74 CES2 (0.45) CES2KMT2AGPR84PPARGPPARD
SCHEMBL10926375 0.74 FDPS (0.43) CES2

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-7078460-B2 Room temperature curable organopolysiloxane composition for molding SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-07-18 US claimed