SCHEMBL8890601

SCHEMBL8890601

COC(=O)c1ccc(C=C(C)Cc2cc3c(cc2OCc2ccccc2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.45
RARG P13631 8/20 0.45
RARA P10276 7/20 0.45
RXRA P19793 4/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
CYP3A4 P08684 4/20 0.44
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 4/20 0.42
CYP26A1 O43174 3/20 0.42
POLB P06746 3/20 0.42
NPC1 O15118 2/20 0.42
BLM P54132 2/20 0.42
USP2 O75604 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8889246 0.92 RXRA (0.54) RARBRARGRARARXRARXRB
SCHEMBL9210142 0.79 CYP3A4 (0.54) RARBRARGRARARXRARXRB
SCHEMBL6915787 0.79 RXRA (0.52) RXRARXRBCYP3A4LMNAHPGD
SCHEMBL10843379 0.73 RARB (0.77) RARBRARGRARARXRARXRB
SCHEMBL10843372 0.73 RARB (0.77) RARBRARGRARARXRARXRB
SCHEMBL9210037 0.73 RARB (0.67) RARBRARGRARARXRARXRB
SCHEMBL8890308 0.72 CCNB2 (0.40) RXRARAB9ANPC1SMN1; SMN2PTPN1
SCHEMBL6238178 0.72 RXRA (0.56) RXRARXRBRXRGCYP3A4RAB9A
SCHEMBL6917161 0.72 MAOB (0.55) RARBRARGRARARXRARXRB
SCHEMBL7086116 0.72 RARG (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO disclosed