SCHEMBL9251445

SCHEMBL9251445

CCn1ncnc1OP(=O)(O)CCCO

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.32
PPARD Q03181 1/20 0.30

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
SCHEMBL9251233 0.83 CETP (0.30) CETP
SCHEMBL2241949 0.60 PPARD (0.75) CETPPPARD
SCHEMBL403843 0.60 MEN1 (0.32)
SCHEMBL899361 0.58 PPARD (0.52) CETPPPARD
SCHEMBL12500112 0.57 KMT2A (0.33)
Acetic Acid SCHEMBL3153220 0.56 MEN1 (0.32)
Acetic Acid SCHEMBL3153227 0.56 HCAR3 (0.33)
SCHEMBL4158403 0.56 PPARD (0.39) PPARD
SCHEMBL16321601 0.55
SCHEMBL2171835 0.54

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-0636135-A1 TRIAZOLE COMPOUNDS Japat Ltd (CH) 1995-02-01 EP disclosed
WO-1992019629-A1 TRIAZOLE COMPOUNDS JAPAT LTD. (CH) 1992-11-12 WO disclosed