SCHEMBL9670519

SCHEMBL9670519

CCCCCCOc1ccc(OC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.70
TSHR P16473 1/20 0.70
PLA2G4B P0C869 4/20 0.68
RARB P10826 3/20 0.64
FAAH O00519 6/20 0.62
NR5A1 Q13285 1/20 0.62
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PLA2G4A P47712 1/20 0.60

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
SCHEMBL79521 1.00 TP53 (0.70) TP53TSHRPLA2G4BRARBFAAH
SCHEMBL9671383 0.98 TP53 (0.67) TP53TSHRPLA2G4BRARBFAAH
SCHEMBL9436019 0.95 RARB (0.72) TP53TSHRPLA2G4BRARBFAAH
SCHEMBL8943242 0.95 RARB (0.72) TP53TSHRPLA2G4BRARBFAAH
SCHEMBL9356366 0.95 RARB (0.72) TP53TSHRPLA2G4BRARBFAAH
SCHEMBL8292097 0.94 TP53 (0.61) TP53TSHRPLA2G4BRARBFAAH
SCHEMBL6899502 0.93 RARB (0.69) TP53TSHRPLA2G4BRARBFAAH
SCHEMBL11289645 0.91 GAA (0.57) TP53TSHRPLA2G4BRARBFAAH
SCHEMBL8081520 0.89 TP53 (0.65) TP53TSHRPLA2G4BRARBFAAH
SCHEMBL8072237 0.89 TP53 (0.65) TP53TSHRPLA2G4BRARBFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed