SCHEMBL19254838

SCHEMBL19254838

Cc1ccc(C[C@H](C)C(=O)OC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.37
ABHD10 Q9NUJ1 1/20 0.37

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
SCHEMBL14564293 0.84 ATM (0.50) ACACBPPARGPPARAHPGDL3MBTL1
SCHEMBL15933208 0.84 PPARG (0.48) ACACBPPARGPPARAHPGDL3MBTL1
SCHEMBL14590363 0.84 ATM (0.50) ACACBPPARGPPARAHPGDL3MBTL1
SCHEMBL6575139 0.84 ATM (0.50) ACACBPPARGPPARAHPGDL3MBTL1
SCHEMBL12864879 0.83 KMT2A (0.41) ACACBPPARGPPARACYP4F2CYP4A11
SCHEMBL14190608 0.82 ACACB (0.42) ACACBPPARGPPARAHPGDL3MBTL1
SCHEMBL28799585 0.82 AGXT (0.42) ACACBPPARGPPARAHPGDL3MBTL1
SCHEMBL11615201 0.79 ACACB (0.47) ACACBPPARGPPARAHPGDTSHR
SCHEMBL12696346 0.77 TBXAS1 (0.53) ACACBPPARGPPARAHPGDTSHR
SCHEMBL10081972 0.77 TBXAS1 (0.53) ACACBPPARGPPARAHPGDTSHR

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-2017135471-A1 INTEGRIN α4β7 INHIBITOR EAファーマ株式会社 2017-08-10 WO disclosed