SCHEMBL8708199

SCHEMBL8708199

C=C(OC(=O)c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.57
RXRA P19793 11/20 0.57
RARG P13631 11/20 0.57
RARA P10276 9/20 0.57
RXRB P28702 7/20 0.57
RXRG P48443 5/20 0.57
CYP3A4 P08684 4/20 0.49
CYP26A1 O43174 4/20 0.49
CYP26B1 Q9NR63 2/20 0.49
HNF4A P41235 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL8586132 0.85 RXRA (0.47) RARBRXRARARGRARARXRB
SCHEMBL8332031 0.84 RXRA (0.59) RARBRXRARARGRARARXRB
SCHEMBL8582315 0.84 RXRA (0.51) RARBRXRARARGRARARXRB
SCHEMBL8704772 0.83 RXRA (0.54) RARBRXRARARGRARARXRB
SCHEMBL8610556 0.83 RXRA (0.56) RARBRXRARARGRARARXRB
SCHEMBL8331493 0.81 RXRA (0.58) RARBRXRARARGRARARXRB
SCHEMBL8695594 0.81 RXRA (0.58) RARBRXRARARGRARARXRB
SCHEMBL8333903 0.80 RXRA (0.59) RARBRXRARARGRARARXRB
SCHEMBL8332132 0.79 RXRA (0.60) RARBRXRARARGRARARXRB
SCHEMBL2194599 0.78 RARB (0.82) RARBRXRARARGRARARXRB

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
US-5837725-A Bridged bicyclic aromatic compounds and their use in modulating gene expression of retinoid receptors SRI INTERNATIONAL (US) 1998-11-17 US disclosed