SCHEMBL29130570

SCHEMBL29130570

CCCCCCCCCCCCCCCCCCCCCc1cc(O)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.59
HTT P42858 2/20 0.58
TYR P14679 2/20 0.58
MEN1 O00255 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX5 P09917 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KAT8 Q9H7Z6 4/20 0.55
BID P55957 3/20 0.51
MCL1 Q07820 3/20 0.51
BCL2L1 Q07817 2/20 0.51
BAK1 Q16611 2/20 0.51
PPARG P37231 2/20 0.51
EP300 Q09472 1/20 0.51
KAT2A Q92830 1/20 0.51

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
SCHEMBL2329040 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53
SCHEMBL4361650 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53
SCHEMBL3442620 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53
SCHEMBL2802711 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53
SCHEMBL811763 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53
SCHEMBL290916 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53
SCHEMBL4364789 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53
SCHEMBL4366300 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53
SCHEMBL4368753 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53
SCHEMBL4368958 1.00 PPARA (0.59) PPARAHTTTYRMEN1TP53

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
CN-116803484-A Microcapsule 上野制药株式会社 2023-09-26 CN disclosed