SCHEMBL17049082

SCHEMBL17049082

Cc1cc2c(cc1C=Cc1ccc(S(=O)(=O)OCC(C)C)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.55
RARB P10826 5/20 0.55
RARG P13631 5/20 0.55
RXRA P19793 7/20 0.39
RXRB P28702 4/20 0.39
RXRG P48443 4/20 0.39
APP P05067 1/20 0.37
CYP26B1 Q9NR63 1/20 0.33
CYP26A1 O43174 5/20 0.32
TUBB1 Q9H4B7 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP24A1 Q07973 1/20 0.32

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
SCHEMBL17049069 0.80 RARA (0.67) RARARARBRARGRXRARXRB
SCHEMBL17049065 0.76 RXRA (0.58) RARARARBRARGRXRARXRB
SCHEMBL17049079 0.76 RXRA (0.67) RARARARBRARGRXRARXRB
SCHEMBL10846840 0.71 RARA (0.72) RARARARBRARGRXRARXRB
SCHEMBL10846838 0.71 RARA (0.72) RARARARBRARGRXRARXRB
SCHEMBL156460 0.71 RARB (1.00) RARARARBRARGRXRARXRB
SCHEMBL10841477 0.71 RARB (1.00) RARARARBRARGRXRARXRB
SCHEMBL4666958 0.71 RARB (0.75) RARARARBRARGRXRARXRB
SCHEMBL2594345 0.71 RARB (0.75) RARARARBRARGRXRARXRB
Hydrochloric Acid SCHEMBL4432609 0.70 RARB (0.97) RARARARBRARGRXRARXRB

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-2015130973-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-09-03 WO disclosed