SCHEMBL9099516

SCHEMBL9099516

CCCCCCCCc1c(C(=O)O)cc(O)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.55
PPARA Q07869 2/20 0.55
PTGS2 P35354 3/20 0.52
RARB P10826 3/20 0.50
CYP3A4 P08684 1/20 0.48
PPARG P37231 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
RARA P10276 1/20 0.47
RARG P13631 1/20 0.47
GPR84 Q9NQS5 7/20 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
Grevillol SCHEMBL31345744 0.92 KAT8 (0.59) KAT8PPARAPTGS2RARBCYP3A4
SCHEMBL28032027 0.87 KAT8 (0.53) KAT8PPARARARBPPARGHCAR2
SCHEMBL27639640 0.87 KAT8 (0.53) KAT8PPARARARBPPARGHCAR2
SCHEMBL1547662 0.85 TSHR (0.51) CYP3A4
SCHEMBL39571 0.84 KAT8 (0.50) KAT8PPARACYP3A4PPARGHCAR2
SCHEMBL8861090 0.84 KAT8 (0.49) KAT8PPARARARBPPARGRARA
SCHEMBL14989165 0.82 KAT8 (0.51) KAT8PPARARARBPPARGHCAR2
SCHEMBL14989183 0.82 KAT8 (0.51) KAT8PPARARARBPPARGHCAR2
SCHEMBL14989185 0.82 KAT8 (0.51) KAT8PPARARARBPPARGHCAR2
SCHEMBL14989184 0.82 KAT8 (0.51) KAT8PPARARARBPPARGHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484585-A CONTAIN NONIONIC, CATIONIC, ANIONIC, ZWITTERIONIC SURFACTANTS, EXCIPIENTS, AND WATER; X-RAY CONTRAST AND COMPUTED TOMOGRAPHY; MEDICAL DIAGNOSIS STERLING-WINTHROP INC. (US) 1996-01-16 US disclosed
US-5385720-A X-ray radiology and computer tomography; uniform coating of the soft tissues; medical diagnosis STERLING WINTHROP INC. (US) 1995-01-31 US disclosed
EP-0614669-A2 Compositions of iodobenzoic acid derivatives in filmforming materials for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-09-14 EP disclosed
EP-0614668-A2 Composition of iodobenzoic acid derivatives for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-09-14 EP disclosed
US-5344638-A Contrast agents for medicine STERLING WINTHROP INC. (US) 1994-09-06 US disclosed
US-5312616-A Radiopaque coating for x-ray examination STERLING WINTHROP INC. (US) 1994-05-17 US disclosed