SCHEMBL7879784

SCHEMBL7879784

CC(C)(C)OC(=O)c1ccc(OC(=O)C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.52
CYP26A1 O43174 8/20 0.52
RARG P13631 8/20 0.52
CYP3A4 P08684 7/20 0.52
RARA P10276 7/20 0.52
CRABP2 P29373 1/20 0.52
CYP26B1 Q9NR63 4/20 0.43
RXRA P19793 5/20 0.42
RXRB P28702 5/20 0.42
RXRG P48443 3/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL7879749 0.85 RARB (0.72) RARBCYP26A1RARGCYP3A4RARA
SCHEMBL8686334 0.76 RARB (0.57) RARBCYP26A1RARGCYP3A4RARA
SCHEMBL7876436 0.76 RXRA (0.48) RARBCYP26A1RARGCYP3A4RARA
SCHEMBL7876437 0.76 RXRA (0.48) RARBCYP26A1RARGCYP3A4RARA
SCHEMBL7566725 0.73 CYP3A4 (0.56) RARBCYP26A1RARGCYP3A4RARA
SCHEMBL7882967 0.71 RARB (0.68) RARBCYP26A1RARGCYP3A4RARA
SCHEMBL9484975 0.71 RARB (0.67) RARBCYP26A1RARGCYP3A4RARA
SCHEMBL7872264 0.70 RARB (0.62) RARBCYP26A1RARGCYP3A4RARA
SCHEMBL7715323 0.70 RARB (0.80) RARBCYP26A1RARGCYP3A4RARA
SCHEMBL7709220 0.70 CYP3A4 (0.65) RARBCYP26A1RARGCYP3A4RARA

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