SCHEMBL7022663

SCHEMBL7022663

CC(=O)N1CCC(C)(C)c2cc(C3(C)CC3CO)ccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.39
RXRA P19793 5/20 0.39
RARA P10276 5/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 3/20 0.39
RARG P13631 3/20 0.39
PPARG P37231 1/20 0.39
NOTUM Q6P988 5/20 0.36
TSHR P16473 3/20 0.33
FSHR P23945 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33

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
SCHEMBL6224084 1.00 RARB (0.39) RARBRXRARARARXRBRXRG
SCHEMBL6221173 0.91 RXRA (0.39) RARBRXRARARARXRBRXRG
SCHEMBL7023001 0.85 KDM1A (0.47) RARBRXRARARARXRBRXRG
SCHEMBL6224587 0.85 KDM1A (0.47) RARBRXRARARARXRBRXRG
SCHEMBL7025785 0.85 KDM1A (0.47) RARBRXRARARARXRBRXRG
SCHEMBL6222075 0.81 RXRA (0.46) RARBRXRARARARXRBRXRG
SCHEMBL8606352 0.77 RXRA (0.48) RARBRXRARARARXRBRXRG
SCHEMBL21017967 0.77 RXRA (0.48) RARBRXRARARARXRBRXRG
SCHEMBL8332983 0.77 RXRA (0.48) RARBRXRARARARXRBRXRG
SCHEMBL8332791 0.77 RXRA (0.48) RARBRXRARARARXRBRXRG

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-1354878-A2 Tetrahydroquinoline derivatives having selective activity for retinoid x receptors Allergan, Inc. (US) 2003-10-22 EP disclosed