SCHEMBL17326601

SCHEMBL17326601

CCCCCOc1cc(-n2ccc3cc(C(=O)O)ccc32)ccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.50
▸ PLA2G4A P47712 2/20 0.48
▸ PTPN11 Q06124 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ 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
SCHEMBL17326802 0.98 RXRA (0.48) RXRAPLA2G4APTPN11RARBRXRB
SCHEMBL17326801 0.88 RXRA (0.41) RXRAPLA2G4AALDH1A1HPGDTP53
SCHEMBL17326622 0.88 RXRA (0.51) RXRARXRBRXRG
SCHEMBL17326617 0.85 RXRA (0.48) RXRARXRBRXRG
SCHEMBL17326599 0.79 RXRA (0.52) RXRAPTPN11RXRBRXRG
SCHEMBL17326621 0.78 RXRA (0.42) RXRAALDH1A1HPGDRXRBRXRG
SCHEMBL17326600 0.76 RXRA (0.61) RXRAPTPN11
SCHEMBL17326792 0.73 KDM4E (0.43) PLA2G4AALDH1A1HPGD
SCHEMBL6840176 0.69 RXRA (0.43) RXRAPLA2G4AHPGDTSHR
SCHEMBL16383665 0.69 RXRA (0.43) RXRAPLA2G4AALDH1A1HPGD

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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