SCHEMBL8488116

SCHEMBL8488116

C/C(C=Cc1ccccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C\CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.42
RXRG P48443 10/20 0.41
RXRB P28702 9/20 0.41
RARG P13631 6/20 0.38
RARB P10826 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
USP2 O75604 1/20 0.37
RBP4 P02753 1/20 0.37
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
SNCA P37840 1/20 0.37
KMT2A Q03164 1/20 0.37
RARA P10276 2/20 0.36

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
SCHEMBL9049173 1.00 RXRA (0.42) RXRARXRGRXRBRARGRARB
SCHEMBL9049181 1.00 RXRA (0.42) RXRARXRGRXRBRARGRARB
SCHEMBL9049102 0.84 RARB (0.50) RXRARXRGRXRBRARGRARB
SCHEMBL8487114 0.84 RARB (0.50) RXRARXRGRXRBRARGRARB
SCHEMBL9049113 0.84 RARB (0.50) RXRARXRGRXRBRARGRARB
SCHEMBL8189844 0.83 RXRA (0.62) RXRARXRGRXRBRARGRARB
SCHEMBL8189841 0.83 RXRA (0.62) RXRARXRGRXRBRARGRARB
SCHEMBL6877487 0.80 RXRA (0.50) RXRARXRGRXRBRARGRARB
SCHEMBL6874278 0.78 RXRA (0.47) RXRARXRGRXRBRARGRARB
SCHEMBL6870432 0.77 RXRA (0.46) RXRARXRGRXRBRARGRARB

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-5968908-A Restricted 9-cis retinoids AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed