SCHEMBL9507898

SCHEMBL9507898

CC1(C)CCC(C)(C)c2cc(COc3ccc(CO)cc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
RXRB P28702 3/20 0.47
RXRA P19793 2/20 0.47
RXRG P48443 2/20 0.47
CYP26A1 O43174 8/20 0.46
CYP3A4 P08684 6/20 0.46
CYP26B1 Q9NR63 4/20 0.46
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
MAOB P27338 2/20 0.40

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
SCHEMBL9510301 0.91 PPARG (0.41) PPARGRXRBRXRARXRGCYP26A1
SCHEMBL8677714 0.91 PPARG (0.53) PPARGRXRBRXRARXRGCYP26A1
SCHEMBL2095481 0.84 RXRA (0.57) PPARGRXRBRXRARXRGCYP26A1
SCHEMBL8676840 0.83 RXRB (0.71) RXRBRXRARXRGCYP26A1CYP3A4
SCHEMBL14286080 0.81 CYP26B1 (0.72) PPARGCYP26A1CYP3A4CYP26B1
SCHEMBL14286212 0.79 CYP26A1 (0.55) PPARGRXRBRXRARXRGCYP26A1
SCHEMBL8674523 0.79 RARA (0.56) PPARGRXRBRXRARXRGCYP26A1
SCHEMBL9275250 0.78 RXRB (0.53) PPARGRXRBRXRARXRGCYP26A1
SCHEMBL9700920 0.77 PPARG (0.46) PPARGRXRBRXRARXRGCYP26A1
SCHEMBL9269550 0.77 POLB (0.55) PPARGRXRBRXRARXRGCYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555265-A1 BICYCLO-COMPOUNDS WITH AN ANTI-SEBORRHOEIC ACTION Henkel Kommanditgesellschaft auf Aktien (DE) 1993-08-18 EP disclosed
WO-1992006946-A1 BICYCLO-COMPOUNDS WITH AN ANTI-SEBORRHOEIC ACTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-04-30 WO disclosed