SCHEMBL6430446

SCHEMBL6430446

CC1(C)CCC(C)(C)c2cc(CC=Cc3ccccc3C(=O)O)ccc21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.64
RARG P13631 6/20 0.64
RARA P10276 5/20 0.64
RXRA P19793 10/20 0.50
RXRB P28702 6/20 0.50
RXRG P48443 5/20 0.50
CYP26B1 Q9NR63 3/20 0.45
CYP26A1 O43174 3/20 0.45
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
PPARG P37231 1/20 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
SCHEMBL7224461 0.85 RARA (0.47) RARBRARGRARARXRARXRB
SCHEMBL6740925 0.79 RARB (0.71) RARBRARGRARARXRARXRB
SCHEMBL6740919 0.79 RARB (0.71) RARBRARGRARARXRARXRB
SCHEMBL5204128 0.79 MAOB (0.48) PTGER4PTGER2
SCHEMBL9205579 0.78 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL8690742 0.77 RARB (0.49) RARBRARGRARA
SCHEMBL7999260 0.76 RARB (0.64) RARBRARGRARARXRARXRB
SCHEMBL10459825 0.76 RXRA (0.63) RARBRARGRARARXRARXRB
SCHEMBL7071780 0.75 RXRA (0.52) RARBRARGRARARXRARXRB
SCHEMBL7071777 0.75 RXRA (0.52) RARBRARGRARARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567172-A2 FORMULATIONS USEFUL AGAINST HEPATITIS C VIRUS INFECTIONS GPC Biotech AG (DE) 2005-08-31 EP disclosed
WO-2004050101-A3 FORMULATIONS USEFUL AGAINST HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-09-10 WO disclosed
WO-2004050101-A2 FORMULATIONS USEFUL AGAINST HEPATITIS C VIRUS INFECTIONS GPC BIOTECH AG (DE) 2004-06-17 WO disclosed