SCHEMBL17326802

SCHEMBL17326802

CCCCOc1cc(-n2ccc3cc(C(=O)O)ccc32)ccc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 6/20 0.48
▸ PLA2G4A P47712 2/20 0.48
▸ PTPN11 Q06124 1/20 0.41
▸ RARB P10826 3/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ PLA2G4B P0C869 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL17326601 0.98 RXRA (0.50) RXRAPLA2G4APTPN11RARBRXRB
SCHEMBL17326801 0.90 RXRA (0.41) RXRAPLA2G4ATP53TSHR
SCHEMBL17326622 0.88 RXRA (0.51) RXRARXRBRXRG
SCHEMBL17326617 0.85 RXRA (0.48) RXRARXRBRXRG
SCHEMBL17326621 0.78 RXRA (0.42) RXRARXRBRXRG
SCHEMBL17326599 0.77 RXRA (0.52) RXRAPTPN11RXRBRXRG
SCHEMBL17326792 0.76 KDM4E (0.43) PLA2G4A
SCHEMBL17326600 0.74 RXRA (0.61) RXRAPTPN11
SCHEMBL17326800 0.74 KDM4E (0.41) PLA2G4A
SCHEMBL15195811 0.71 PLA2G4A (0.46) RXRAPLA2G4A

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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