SCHEMBL28368563

SCHEMBL28368563

CCCCCc1cc(O)c(O)c(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.69
KAT8 Q9H7Z6 2/20 0.65
RARB P10826 3/20 0.55
RARA P10276 1/20 0.55
RARG P13631 1/20 0.55
PPARG P37231 1/20 0.52
PTGS2 P35354 3/20 0.50
CYP3A4 P08684 1/20 0.50
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
GPR84 Q9NQS5 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PLK1 P53350 1/20 0.46

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
SCHEMBL28373659 0.98 PPARA (0.72) PPARAKAT8RARBRARARARG
SCHEMBL28369489 0.98 PPARA (0.72) PPARAKAT8RARBRARARARG
SCHEMBL28368595 0.98 PPARA (0.72) PPARAKAT8RARBRARARARG
SCHEMBL28369198 0.98 PPARA (0.72) PPARAKAT8RARBRARARARG
SCHEMBL5676629 0.95 PPARA (0.62) PPARAKAT8RARBRARARARG
Ammonia Solution, Strong SCHEMBL29240246 0.93 PPARA (0.60) PPARAKAT8RARBRARARARG
SCHEMBL11596514 0.90 KAT8 (0.69) PPARAKAT8RARBRARARARG
SCHEMBL22529565 0.88 MCL1 (0.53) PPARAKAT8RARBRARARARG
SCHEMBL13536264 0.85 KAT8 (0.63) PPARAKAT8RARBRARARARG
SCHEMBL8981485 0.85 KAT8 (0.59) PPARAKAT8RARBRARARARG

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-110914416-B Microorganism and method for producing cannabinoids and cannabinoid derivatives 加州大学董事会 2023-07-21 CN disclosed
CN-110914416-A Microorganisms and methods for producing cannabinoids and cannabinoid derivatives 加州大学董事会 2020-03-24 CN disclosed