SCHEMBL9700920

SCHEMBL9700920

CC1(C)CCC(C)(C)c2cc(COc3ccc([C]=O)c(O)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.46
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
CYP26A1 O43174 6/20 0.41
CYP26B1 Q9NR63 4/20 0.41
CYP3A4 P08684 4/20 0.40
MAOB P27338 6/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
MAOA P21397 3/20 0.38

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
SCHEMBL9269550 0.80 POLB (0.55) PPARGRXRARXRBRXRGCYP26A1
SCHEMBL8907781 0.80 MAOB (0.53) PPARGRXRARXRBRXRGCYP26A1
SCHEMBL9272893 0.79 MAOB (0.49) PPARGRXRARXRBRXRGCYP26A1
SCHEMBL9275250 0.79 RXRB (0.53) PPARGRXRARXRBRXRGCYP26A1
SCHEMBL9507898 0.77 PPARG (0.50) PPARGRXRARXRBRXRGCYP26A1
SCHEMBL9699620 0.75 MAOB (0.45) PPARGRXRARXRBRXRGCYP26A1
SCHEMBL8676840 0.75 RXRB (0.71) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL8677714 0.74 PPARG (0.53) PPARGRXRARXRBRXRGCYP26A1
SCHEMBL14286080 0.73 CYP26B1 (0.72) PPARGCYP26A1CYP26B1CYP3A4
SCHEMBL8674842 0.73 RXRA (0.68) PPARGRXRARXRBRXRGCYP26A1

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
WO-1992006948-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-04-30 WO disclosed