SCHEMBL8764709

SCHEMBL8764709

O=C(O)CCCCCCCCC(=O)OCCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
PLA2G4B P0C869 6/20 0.59
PPARA Q07869 2/20 0.57
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PKM P14618 1/20 0.54
RARB P10826 3/20 0.52
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PLA2G4A P47712 1/20 0.50

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
Sebacic Acid SCHEMBL5050874 0.92 PLA2G4B (0.68) HTTPLA2G4BPPARATP53TSHR
SCHEMBL28279260 0.89 PPARA (0.71) HTTPLA2G4BPPARATP53TSHR
SCHEMBL8133488 0.89 PPARA (0.71) HTTPLA2G4BPPARATP53TSHR
SCHEMBL2233264 0.89 PPARA (0.71) HTTPLA2G4BPPARATP53TSHR
SCHEMBL2255415 0.89 PPARA (0.71) HTTPLA2G4BPPARATP53TSHR
Terephthalic Acid SCHEMBL23910546 0.89 HTT (0.55) HTTPLA2G4BPPARATP53TSHR
SCHEMBL11589042 0.89 PPARA (0.71) HTTPLA2G4BPPARATP53TSHR
SCHEMBL2219999 0.88 HTT (0.49) HTTPLA2G4BPPARATP53TSHR
SCHEMBL2230125 0.87 PPARA (0.73) HTTPLA2G4BPPARATP53TSHR
Terephthalic Acid SCHEMBL28904546 0.86 TP53 (0.58) HTTPLA2G4BPPARATP53TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0774964-A1 CONTROLLED LOCAL DELIVERY OF CHEMOTHERAPEUTIC AGENTS FOR TREATING SOLID TUMORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1997-05-28 EP disclosed
WO-1996003984-A1 CONTROLLED LOCAL DELIVERY OF CHEMOTHERAPEUTIC AGENTS FOR TREATING SOLID TUMORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1996-02-15 WO disclosed