SCHEMBL17326622

SCHEMBL17326622

CC(C)COc1cc(-n2ccc3cc(C(=O)O)ccc32)ccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 7/20 0.51
▸ RXRB P28702 1/20 0.51
▸ RXRG P48443 1/20 0.51
▸ PPARG P37231 1/20 0.46
▸ MYC P01106 2/20 0.39
▸ MAX P61244 2/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ TYMS P04818 1/20 0.38
▸ EP300 Q09472 1/20 0.37
▸ PTGER1 P34995 2/20 0.37
▸ HCAR3 P49019 1/20 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
SCHEMBL17326621 0.90 RXRA (0.42) RXRARXRBRXRGPPARGROCK2
SCHEMBL17326802 0.88 RXRA (0.48) RXRARXRBRXRG
SCHEMBL17326601 0.88 RXRA (0.50) RXRARXRBRXRG
SCHEMBL17326617 0.87 RXRA (0.48) RXRARXRBRXRGTYMSPTGER1
SCHEMBL25484510 0.80 RXRA (0.68) RXRARXRBRXRGPPARGMYC
SCHEMBL17326569 0.78 RXRA (0.50) RXRARXRBRXRGPPARGEP300
SCHEMBL17326801 0.78 RXRA (0.41) RXRAROCK2PIM1PIM3
SCHEMBL17326803 0.76 AR (0.39) ROCK2PIM1PIM3
SCHEMBL17326555 0.75 RXRA (0.47) RXRARXRBRXRGPPARGPTGER1
SCHEMBL17326620 0.75 AR (0.38) ROCK2PIM1PIM3

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-2015187850-A2 COMPOUNDS AND METHODS FOR TREATMENT OF OCULAR DISORDERS DUKE UNIVERSITY (US) 2015-12-10 — — WO disclosed
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