SCHEMBL2737083

SCHEMBL2737083

BCCCCCC1(C(=O)OCCCC)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
ALDH1A1 P00352 2/20 0.37
CETP P11597 4/20 0.36
ATM Q13315 1/20 0.35
ACHE P22303 6/20 0.35
NAAA Q02083 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10264464 0.98 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1CETPATM
SCHEMBL27260326 0.88 CYP4F2 (0.53) CYP4F2CYP4A11CETPACHENAAA
SCHEMBL8411261 0.86 CYP4F2 (0.51) CYP4F2CYP4A11CETPACHENAAA
SCHEMBL16653040 0.86 CYP4F2 (0.51) CYP4F2CYP4A11CETPACHENAAA
SCHEMBL14697097 0.86 CYP4F2 (0.51) CYP4F2CYP4A11CETPACHENAAA
SCHEMBL16652987 0.86 CYP4F2 (0.51) CYP4F2CYP4A11CETPACHENAAA
SCHEMBL14697386 0.86 CYP4F2 (0.51) CYP4F2CYP4A11CETPACHENAAA
SCHEMBL28630718 0.86 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1CETPATM
SCHEMBL186860 0.85 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1CETPATM
SCHEMBL186379 0.85 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1CETPATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402300-B1 Hydroxyl compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS INC (US) 2016-05-25 EP disclosed
EP-2404890-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-11 EP disclosed
EP-2402300-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-04 EP disclosed