SCHEMBL9575816

SCHEMBL9575816

CCCCCCCCCCCCCCCCCCOC[C@@H](O)COC(=O)NCCCl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 1/20 0.49
ACHE P22303 13/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
FAAH O00519 1/20 0.44

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
SCHEMBL9863630 0.88 ACHE (0.50) LPAR5ACHEUSP2HTTCYP1A2
SCHEMBL9575848 0.85 LPAR6 (0.48) LPAR5ACHE
SCHEMBL9863804 0.84 LPAR5 (0.47) LPAR5ACHEUSP2HTTCYP1A2
SCHEMBL9575818 0.83 ACHE (0.46) ACHE
Hydrochloric Acid SCHEMBL9863876 0.83 LPAR5 (0.46) LPAR5ACHEUSP2HTT
SCHEMBL9575694 0.82 EPHX1 (0.46) ACHE
SCHEMBL29250462 0.81 ACHE (0.73) ACHEFAAH
SCHEMBL16623920 0.79 EPHX1 (0.59) ACHE
SCHEMBL4665172 0.78 ACHE (0.49) ACHEUSP2
SCHEMBL9575941 0.78 KDM4E (0.57) LPAR5USP2HTT

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
US-5187293-A Blood platelet activating factor inhibitors HOFFMANN-LA ROCHE INC. (US) 1993-02-16 US disclosed
US-4731373-A BLOOD PLATELET ACTIVATING FACTOR HOFFMAN-LA ROCHE INC. (US) 1988-03-15 US disclosed