SCHEMBL187215

SCHEMBL187215

CC(C)(C)OC(=O)C1(CCCCC(=O)CCCCC2(C(=O)O)CC2C(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 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
SCHEMBL186686 0.85 CYP4F2 (0.41) CYP4F2CYP4A11HDAC4HDAC1
SCHEMBL5705263 0.84 CYP4F2 (0.47) CYP4F2CYP4A11
SCHEMBL187214 0.84 CYP4F2 (0.51) CYP4F2CYP4A11EPHX2HDAC1
SCHEMBL187126 0.83 CYP4F2 (0.53) CYP4F2CYP4A11EPHX2KMT2AHDAC1
SCHEMBL798199 0.75 CYP4F2 (0.60) CYP4F2CYP4A11EPHX2HDAC1
SCHEMBL797984 0.75 CYP4F2 (0.60) CYP4F2CYP4A11EPHX2HDAC1
SCHEMBL798227 0.75 CYP4F2 (0.60) CYP4F2CYP4A11EPHX2HDAC1
SCHEMBL798441 0.75 CYP4F2 (0.60) CYP4F2CYP4A11EPHX2HDAC1
SCHEMBL46318 0.72 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2A
SCHEMBL14892163 0.72 CYP4F2 (0.65) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402300-A1 Hydroxyl compounds and compositions for cholesterol management and related uses Esperion Therapeutics Inc. (US) 2012-01-04 EP disclosed