SCHEMBL20450780

SCHEMBL20450780

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)NC(CO)C(O)/C=C/CCCCCCCCCCCCC

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.97
THRB P10828 1/20 0.97
MEN1 O00255 1/20 0.97
KMT2A Q03164 1/20 0.97
ASAH1 Q13510 2/20 0.76
TP53 P04637 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2D6 P10635 1/20 0.73
MAPT P10636 1/20 0.73
CYP2C9 P11712 1/20 0.73
MAPK1 P28482 1/20 0.73
CYP2C19 P33261 1/20 0.73
DEGS1 O15121 1/20 0.72
ASAH2 Q9NR71 2/20 0.69
PLA2G4A P47712 4/20 0.67
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL30167971 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL31276708 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL30915241 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL2734386 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL20152381 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL31277312 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL31277666 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL13587670 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL22855979 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1
SCHEMBL30498995 1.00 CETP (0.97) CETPTHRBMEN1KMT2AASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024210692-A1 HIGHLY WATER-DISPERSIBLE COMPOSITION HAVING HIGH CERAMIDE CONTENT 주식회사 무진메디 2024-10-10 WO disclosed
US-20240159778-A1 Lipid Abnormalities and Association with Atopic Allergic Diseases NATIONAL JEWISH HEALTH 2024-05-16 US disclosed
US-11709169-B2 Lipid abnormalities and association with atopic allergic diseases NATIONAL JEWISH HEALTH (US) 2023-07-25 US disclosed
US-20180224470-A1 Lipid Abnormalities and Association with Atopic Allergic Diseases NATIONAL JEWISH HEALTH 2018-08-09 US disclosed