SCHEMBL8907954

SCHEMBL8907954

COCCOCOc1cc(OC[C@H](OC(=O)Cc2ccccc2OC)c2ccc3c(c2)C(C)(C)CCC3(C)C)ccc1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARG P13631 10/20 0.44
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
CYP26A1 O43174 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 4/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
YAP1 P46937 1/20 0.32

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
SCHEMBL8907526 0.77 CYP3A4 (0.43) RARGRARARARBCYP26A1CYP3A4
SCHEMBL8909052 0.77 CYP3A4 (0.55) RARGRARARARBCYP26A1CYP3A4
SCHEMBL8907801 0.75 CYP26A1 (0.45) RARGRARARARBCYP26A1CYP3A4
SCHEMBL8907955 0.74 RARG (0.42) RARGRARARARBCYP26A1CYP3A4
SCHEMBL9271838 0.73 CYP26A1 (0.64) RARGRARARARBCYP26A1CYP3A4
SCHEMBL8907475 0.72 CYP3A4 (0.52) RARGRARARARBCYP26A1CYP3A4
SCHEMBL8907772 0.71 PARP15 (0.50) PPARGMEN1KMT2AKDM4ENPC1
SCHEMBL8909342 0.70 CYP3A4 (0.43) RARGRARARARBCYP26A1CYP3A4
SCHEMBL8907823 0.69 CYP3A4 (0.60) RARGRARARARBCYP26A1CYP3A4
SCHEMBL9270229 0.69 RARG (0.62) RARGRARARARBCYP26A1CYP3A4

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