SCHEMBL6149407

SCHEMBL6149407

COc1ccc(CC(C=Cc2ccc(C(=O)O)c(C)c2)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARG P13631 10/20 0.49
RARA P10276 9/20 0.49
RARB P10826 9/20 0.49
CYP26A1 O43174 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
PPARG P37231 4/20 0.42
RXRA P19793 6/20 0.41
RXRB P28702 4/20 0.41
RXRG P48443 3/20 0.39

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
SCHEMBL6149396 1.00 RARG (0.49) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6144268 0.90 RARG (0.50) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6144265 0.90 RARG (0.50) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6143599 0.89 RARB (0.63) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6143596 0.89 RARB (0.63) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6149401 0.84 RARA (0.52) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6146872 0.84 RARG (0.55) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6146880 0.84 RARG (0.55) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6147382 0.83 RARG (0.54) RARGRARARARBCYP26A1CYP3A4
SCHEMBL6147374 0.83 RARG (0.54) 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
EP-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed