SCHEMBL12101079

SCHEMBL12101079

BCCCCCC(C)(C)CCC(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NR1I2 O75469 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
SCHEMBL19861519 0.86 DGKA (0.48) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL2139219 0.85 CYP4F2 (0.57) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL2141682 0.83 CYP1A2 (0.46) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL26711435 0.81 CYP1A2 (0.46) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL8233910 0.80 CYP1A2 (0.57) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL25823863 0.80 CYP1A2 (0.57) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL12824155 0.80 CYP1A2 (0.57) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL19861446 0.79 DGKA (0.53) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL26711439 0.79 CYP1A2 (0.48) CYP1A2GAACYP4F2CYP4A11KMT2A
SCHEMBL21015257 0.79 CYP1A2 (0.52) CYP1A2GAACYP4F2CYP4A11KMT2A

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-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed