SCHEMBL17326569

SCHEMBL17326569

CC(C)COc1cc(-n2c(N)nc3cc(C(=O)O)ccc32)ccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 6/20 0.50
▸ RXRB P28702 1/20 0.50
▸ RXRG P48443 1/20 0.50
▸ PPARG P37231 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ THRB P10828 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ HCAR3 P49019 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ EP300 Q09472 1/20 0.39
▸ PTGER1 P34995 2/20 0.38

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
SCHEMBL17326599 0.89 RXRA (0.52) RXRARXRBRXRGSMN1; SMN2THRB
SCHEMBL17326618 0.88 RXRA (0.50) RXRASMN1; SMN2THRBHSD17B10HTT
SCHEMBL17326555 0.86 RXRA (0.47) RXRARXRBRXRGPPARGSMN1; SMN2
SCHEMBL17326622 0.78 RXRA (0.51) RXRARXRBRXRGPPARGHCAR3
SCHEMBL25484510 0.77 RXRA (0.68) RXRARXRBRXRGPPARGEP300
SCHEMBL17326600 0.75 RXRA (0.61) RXRAPPARGSMN1; SMN2THRBHCAR3
SCHEMBL17326619 0.74 RXRA (0.47) RXRARXRBRXRGPPARGSMN1; SMN2
SCHEMBL29462123 0.73 HCAR3 (0.50) RXRARXRBRXRGPPARGHCAR3
SCHEMBL29462128 0.73 HCAR3 (0.50) RXRARXRBRXRGPPARGHCAR3
SCHEMBL26114008 0.73 HCAR3 (0.50) RXRARXRBRXRGPPARGHCAR3

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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