SCHEMBL25844140

SCHEMBL25844140

COc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c4c(c5ccccc5c3O2)-c2ccc(C)cc2C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.33
RAB9A P51151 1/20 0.33
ALK Q9UM73 1/20 0.33
MAPT P10636 8/20 0.33
KDM4E B2RXH2 6/20 0.33
PRKDC P78527 3/20 0.33
MAPK1 P28482 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 4/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
ADAM17 P78536 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 1/20 0.31
XRCC6 P12956 1/20 0.31
XRCC5 P13010 1/20 0.31

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
SCHEMBL30914180 0.94 RAB9A (0.35) AKT1RAB9AALKMAPTKDM4E
SCHEMBL1710974 0.94 RAB9A (0.35) AKT1RAB9AALKMAPTKDM4E
SCHEMBL1333000 0.94 RAB9A (0.35) AKT1RAB9AALKMAPTKDM4E
SCHEMBL25844147 0.94 ALK (0.36) RAB9AALKMAPTKDM4EMAPK1
SCHEMBL25844700 0.94 ALK (0.34) RAB9AALKMAPTKDM4EPRKDC
SCHEMBL25844698 0.93 MAPT (0.34) RAB9AALKMAPTKDM4EPRKDC
SCHEMBL25844144 0.93 ALDH1A1 (0.33) RAB9AALKMAPTKDM4EMAPK1
SCHEMBL25844702 0.93 ALK (0.35) RAB9AALKMAPTKDM4EPRKDC
SCHEMBL25844138 0.93 MAPT (0.35) RAB9AALKMAPTKDM4EPRKDC
SCHEMBL25852319 0.92 TP53 (0.34) AKT1RAB9AMAPTKDM4EPRKDC

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
US-20230227717-A1 PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE, AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-07-20 US disclosed