SCHEMBL27639554

SCHEMBL27639554

CC(C)=CCC/C(C)=C/Cc1cc(C(=O)CO)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
DNMT1 P26358 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ICMT O60725 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
CNR2 P34972 1/20 0.43
EGFR P00533 1/20 0.43
BACE1 P56817 2/20 0.41
ACHE P22303 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
AKR1C4 P17516 1/20 0.39

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
SCHEMBL8020241 0.91 BACE1 (0.51) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL8010389 0.90 BACE1 (0.53) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL12702799 0.88 TRPV1 (0.46) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL8021150 0.87 ICMT (0.45) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL27639564 0.84 PPARG (0.45) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL27660340 0.83 PTGES (0.46) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL12702765 0.82 PPARG (0.47) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL8011289 0.81 PPARG (0.46) PPARGPPARDPPARADNMT1SIRT5
SCHEMBL9417828 0.79 NPC1 (0.49) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL8026218 0.79 ALDH1A1 (0.43) PPARGPPARDPPARADNMT1SIRT5

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
CN-1816328-A Therapeutic agent TAKARA BIO INC (JP) 2006-08-09 CN claimed
CN-1816328-A Therapeutic agent TAKARA BIO INC (JP) 2006-08-09 CN disclosed