SCHEMBL7872237

SCHEMBL7872237

C=CCOC(=O)c1cccc(OC(=O)/C=C/c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.44
RARG P13631 4/20 0.44
RARA P10276 3/20 0.44
APP P05067 1/20 0.42
CYP26A1 O43174 2/20 0.41
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MAPT P10636 2/20 0.38
RXRA P19793 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SNCA P37840 1/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37

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
SCHEMBL7872240 1.00 RARB (0.44) RARBRARGRARAAPPCYP26A1
SCHEMBL7879935 0.84 RARB (0.60) RARBRARGRARACYP26A1RXRA
SCHEMBL7879932 0.84 RARB (0.60) RARBRARGRARACYP26A1RXRA
SCHEMBL7872246 0.83 CYP3A4 (0.43) RARBRARGRARAAPPCYP26A1
SCHEMBL7872249 0.83 CYP3A4 (0.43) RARBRARGRARAAPPCYP26A1
SCHEMBL7879878 0.77 RARB (0.52) RARBRARGRARACYP26A1MAPT
SCHEMBL7879873 0.77 RARB (0.52) RARBRARGRARACYP26A1MAPT
SCHEMBL7876471 0.74 RARB (0.52) RARBRARGRARACYP26A1RXRA
SCHEMBL7876428 0.74 RARB (0.74) RARBRARGRARACYP26A1RXRA
SCHEMBL7876472 0.74 RARB (0.52) RARBRARGRARACYP26A1RXRA

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-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed