SCHEMBL9066004

SCHEMBL9066004

CCCCCCCCCCCCCCCC(=O)N(CCOCCN(C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.47
FAAH O00519 8/20 0.47
CES1 P23141 8/20 0.47
CES2 O00748 5/20 0.47
DGKA P23743 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GPR84 Q9NQS5 2/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11105644 0.86 CES2 (0.54) FAAHCES1CES2MEN1KMT2A
SCHEMBL8848803 0.86 CES2 (0.54) FAAHCES1CES2MEN1KMT2A
SCHEMBL13065188 0.84 CES2 (0.52) FAAHCES1CES2MEN1KMT2A
SCHEMBL29245554 0.84 CES1 (0.52) FAAHCES1CES2MEN1KMT2A
SCHEMBL28988024 0.84 CES1 (0.52) FAAHCES1CES2MEN1KMT2A
SCHEMBL29245616 0.84 CES1 (0.52) FAAHCES1CES2MEN1KMT2A
Hydrochloric Acid SCHEMBL28803592 0.82 CES1 (0.50) FAAHCES1CES2MEN1KMT2A
SCHEMBL29366356 0.81 LPAR3 (0.58)
SCHEMBL30886748 0.81 LPAR3 (0.58)
SCHEMBL30293860 0.81 LPAR3 (0.58)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335173-B2 Antifoam additive BAYER AG (DE) 1996-07-17 EP disclosed
US-4988463-A Antifoam agents, mono-, di-, or tri-esters with diamides and nonionic surfactants BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed