SCHEMBL8907955

SCHEMBL8907955

COCCOCOc1cc(OC[C@](OC)(OC(=O)Cc2ccccc2)c2ccc3c(c2)C(C)(C)CCC3(C)C)ccc1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARG P13631 10/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
PPARG P37231 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.32
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8909052 0.79 CYP3A4 (0.55) RARGRARARARBPPARGCYP3A4
SCHEMBL8907954 0.74 RARG (0.44) RARGRARARARBPPARGL3MBTL1
SCHEMBL9270229 0.71 RARG (0.62) RARGRARARARBPPARGCYP3A4
SCHEMBL8907772 0.70 PARP15 (0.50) PPARGKDM4ENPC1GAARAB9A
SCHEMBL9263958 0.68 MAOB (0.51) PPARGL3MBTL1CYP3A4CYP26A1CYP26B1
SCHEMBL8907967 0.66 CYP26A1 (0.56) RARGRARARARBPPARGCYP3A4
SCHEMBL9261830 0.66 MAOB (0.46) L3MBTL1CYP3A4KDM4ENPC1GAA
SCHEMBL8907475 0.65 CYP3A4 (0.52) RARGRARARARBPPARGCYP3A4
SCHEMBL9271838 0.65 CYP26A1 (0.64) RARGRARARARBPPARGCYP3A4
SCHEMBL8839372 0.65 TDP1 (0.46) PPARGL3MBTL1CYP3A4RAB9ACYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654331-A SKIN AND RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-08-05 US disclosed