SCHEMBL29587237

SCHEMBL29587237

O=C(NOC1CCCCO1)C1CCc2cc(CCCOc3ccc(F)cc3)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 8/20 0.44
CYP4A11 Q02928 8/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 4/20 0.38
PPARA Q07869 3/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL29587197 0.86 PPARG (0.43) CYP4F2CYP4A11MEN1KMT2APPARG
SCHEMBL29586811 0.83 MAOB (0.43) CYP4F2CYP4A11MEN1KMT2APPARG
SCHEMBL24496643 0.83 CYP4F2 (0.51) CYP4F2CYP4A11PPARGPPARAHDAC3
SCHEMBL29587347 0.83 CYP4F2 (0.51) CYP4F2CYP4A11PPARGPPARAHDAC3
SCHEMBL24496752 0.83 EGLN1 (0.39) CYP4F2CYP4A11MEN1KMT2APPARG
SCHEMBL29586879 0.83 EGLN1 (0.39) CYP4F2CYP4A11MEN1KMT2APPARG
SCHEMBL29587290 0.82 HDAC3 (0.51) CYP4F2CYP4A11HDAC3HDAC1HDAC2
SCHEMBL24496642 0.80 CYP4F2 (0.51) CYP4F2CYP4A11PPARGPPARAHDAC3
SCHEMBL29587210 0.80 PPARG (0.46) CYP4F2CYP4A11MEN1KMT2APPARG
SCHEMBL24496639 0.76 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2APPARG

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-2022120048-A1 HDAC INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-06-09 WO disclosed