SCHEMBL17326800

SCHEMBL17326800

C=C(C)c1ccc(-n2ccc3cc(C(=O)OC)ccc32)cc1OCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PLA2G4A P47712 1/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL17326792 0.92 KDM4E (0.43) KDM4EALDH1A1HPGDL3MBTL1PLA2G4A
SCHEMBL17326620 0.87 AR (0.38) KDM4EALDH1A1HPGDROCK2PIM1
SCHEMBL17326801 0.84 RXRA (0.41) KDM4EALDH1A1HPGDL3MBTL1PLA2G4A
SCHEMBL17326803 0.79 AR (0.39) KDM4EALDH1A1HPGDROCK2PIM1
SCHEMBL17326802 0.74 RXRA (0.48) PLA2G4A
SCHEMBL17129126 0.72 MAPT (0.50) KDM4EALDH1A1HPGDL3MBTL1NPC1
SCHEMBL17326601 0.72 RXRA (0.50) ALDH1A1HPGDPLA2G4A
SCHEMBL17326621 0.72 RXRA (0.42) KDM4EALDH1A1HPGDROCK2PIM1
SCHEMBL140918 0.72 ROCK2 (0.47) KDM4EALDH1A1HPGDROCK2PIM1
SCHEMBL149014 0.71 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1NPC1

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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