SCHEMBL8962585

SCHEMBL8962585

C=CC(=O)N(C)C(=O)CCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
TSHR P16473 5/20 0.43
FAAH O00519 1/20 0.43
EPHX2 P34913 2/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL13715261 0.82 ALDH1A1 (0.58) ALDH1A1CES2CES1TSHRGPR84
SCHEMBL19457415 0.82 ALDH1A1 (0.58) ALDH1A1CES2CES1TSHRGPR84
SCHEMBL13715021 0.82 ALDH1A1 (0.58) ALDH1A1CES2CES1TSHRGPR84
SCHEMBL13715260 0.82 ALDH1A1 (0.58) ALDH1A1CES2CES1TSHRGPR84
SCHEMBL11308893 0.82 ALDH1A1 (0.58) ALDH1A1CES2CES1TSHRGPR84
SCHEMBL2022809 0.82 ALDH1A1 (0.58) ALDH1A1CES2CES1TSHRGPR84
SCHEMBL2439923 0.77 ALDH1A1 (0.48) ALDH1A1CES2CES1TSHRFAAH
SCHEMBL2442026 0.77 ALDH1A1 (0.48) ALDH1A1CES2CES1TSHRFAAH
SCHEMBL2943497 0.77 ALDH1A1 (0.48) ALDH1A1CES2CES1TSHRFAAH
SCHEMBL2446269 0.77 ALDH1A1 (0.48) ALDH1A1CES2CES1TSHRFAAH

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-5560749-A MIXTURE OF A PEROXY COMPOUND AND (CO)POLYMERIC PRECURSOR CONTAINING ACRYLIMIDE MOITIES; NONSENSITIZING TO SKIN; ANTISOILANTS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-10-01 US disclosed