SCHEMBL28294939

SCHEMBL28294939

CCCCCCCCCCCC(=O)COC(C)=O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
PAM P19021 2/20 0.48
DGKA P23743 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
HAO1 Q9UJM8 1/20 0.46
PPARG P37231 5/20 0.45
PPARD Q03181 5/20 0.45
PPARA Q07869 5/20 0.45
HDAC11 Q96DB2 4/20 0.45
TSHR P16473 3/20 0.45
GPR84 Q9NQS5 3/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
PTPN1 P18031 2/20 0.45
SLC22A6 Q4U2R8 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
SCHEMBL15903150 0.98 FAAH (0.55) FAAHKMT2AMAPTPAMDGKA
SCHEMBL5182290 0.98 FAAH (0.55) FAAHKMT2AMAPTPAMDGKA
SCHEMBL5165888 0.98 FAAH (0.55) FAAHKMT2AMAPTPAMDGKA
SCHEMBL30845971 0.98 FAAH (0.55) FAAHKMT2AMAPTPAMDGKA
SCHEMBL4940224 0.98 FAAH (0.55) FAAHKMT2AMAPTPAMDGKA
SCHEMBL3347834 0.96 ALDH1A1 (0.52) FAAHKMT2AMAPTPAMDGKA
SCHEMBL31197399 0.90 ALDH1A1 (0.54) FAAHKMT2AMAPTPAMDGKA
SCHEMBL16146942 0.89 FAAH (0.54) FAAHKMT2AMAPTPAMDGKA
SCHEMBL5167241 0.88 FAAH (0.65) FAAHKMT2AMAPTPPARGPPARD
SCHEMBL5167253 0.88 FAAH (0.65) FAAHKMT2AMAPTPPARGPPARD

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
CN-109641138-A Mild cleansing compositions with make-up removal properties 莱雅公司 2019-04-16 CN disclosed