SCHEMBL24623345

SCHEMBL24623345

C=C(OCC)C(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.59
CYP4A11 Q02928 3/20 0.59
HTT P42858 1/20 0.40
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.35
ELANE P08246 1/20 0.32
CNR2 P34972 3/20 0.31
ACLY P53396 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
SCHEMBL3279755 0.91 CYP4F2 (0.71) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL31108899 0.91 CYP4F2 (0.71) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL186368 0.91 CYP4F2 (0.71) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL187113 0.91 CYP4F2 (0.71) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL185905 0.89 CYP4F2 (0.68) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL186940 0.86 CYP4F2 (0.65) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL25936769 0.86 CYP4F2 (0.65) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL187405 0.84 CYP4F2 (0.63) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL3286744 0.84 CYP4F2 (0.63) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL31108865 0.84 CYP4F2 (0.63) CYP4F2CYP4A11HTTTHRBPKM

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
WO-2022149161-A1 PROCESS FOR PREPARATION OF BEMPEDOIC ACID AND ITS INTERMEDIATES DR. REDDY'S LABORATORIES LIMITED (IN) 2022-07-14 WO disclosed