SCHEMBL9049102

SCHEMBL9049102

CC(/C=C/c1ccccc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\CO

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.50
RARG P13631 12/20 0.50
RXRA P19793 6/20 0.50
RARA P10276 12/20 0.40
PTGER1 P34995 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
RXRG P48443 3/20 0.35
RXRB P28702 2/20 0.35
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8487114 1.00 RARB (0.50) RARBRARGRXRARARAPTGER1
SCHEMBL9049113 1.00 RARB (0.50) RARBRARGRXRARARAPTGER1
SCHEMBL8488116 0.84 RXRA (0.42) RARBRARGRXRARARARXRG
SCHEMBL9049181 0.84 RXRA (0.42) RARBRARGRXRARARARXRG
SCHEMBL9049173 0.84 RXRA (0.42) RARBRARGRXRARARARXRG
SCHEMBL4882500 0.83 RXRA (0.62) RARBRARGRXRARARARXRG
SCHEMBL4882513 0.83 RXRA (0.62) RARBRARGRXRARARARXRG
SCHEMBL7567586 0.80 KDM4E (0.47) RARBRARGRXRARARARXRG
SCHEMBL7565108 0.80 KDM4E (0.47) RARBRARGRXRARARARXRG
SCHEMBL6880799 0.77 RARB (0.51) RARBRARGRXRARARAPTGER1

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
EP-0718285-A2 Restricted 9-cis-retinoids American Cyanamid Company (US) 1996-06-26 EP disclosed