SCHEMBL6430449

SCHEMBL6430449

CC(=Cc1ccccc1C(=O)O)c1cccc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.43
RARG P13631 16/20 0.43
RARB P10826 15/20 0.43
RARA P10276 10/20 0.43
RXRG P48443 8/20 0.43
RXRB P28702 7/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
CYP26A1 O43174 1/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 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
SCHEMBL8436608 0.82 RXRA (0.66) RXRARARGRARBRARARXRG
SCHEMBL7943902 0.81 RARB (0.67) RXRARARGRARBRARARXRG
SCHEMBL7943899 0.81 RARB (0.67) RXRARARGRARBRARARXRG
SCHEMBL7943904 0.81 RARB (0.67) RXRARARGRARBRARARXRG
SCHEMBL8198622 0.80 RARG (0.65) RXRARARGRARBRARARXRG
SCHEMBL6257667 0.80 RARG (0.65) RXRARARGRARBRARARXRG
SCHEMBL32671443 0.80 RARG (0.65) RXRARARGRARBRARARXRG
SCHEMBL8919744 0.79 RXRA (0.44) RXRARARGRARBRARARXRG
SCHEMBL10775733 0.74 RARB (0.46) RXRARARGRARBRARARXRG
SCHEMBL10773071 0.73 RARB (0.49) RXRARARGRARBRARARXRG

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