SCHEMBL25844455

SCHEMBL25844455

COc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c4c(c5cc(N6CCOCC6)c(OC)cc5c3O2)-c2ccc(C)cc2C4(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
PIK3CA P42336 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
ALK Q9UM73 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
PRKDC P78527 2/20 0.30
ADAM17 P78536 1/20 0.30
LCK P06239 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL15763099 0.98 PRKDC (0.32) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL25844452 0.97 ALK (0.33) ALDH1A1MAPTHTTPIK3CAALK
SCHEMBL25844449 0.96 MAPT (0.35) ALDH1A1MAPTKDM4EHTTPIK3CA
SCHEMBL25844445 0.95 MAPT (0.33) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL25844458 0.94 PIK3CA (0.32) ALDH1A1MAPTHTTPIK3CAALK
SCHEMBL25844447 0.93 ALK (0.34) ALDH1A1MAPTKDM4EHTTPIK3CA
SCHEMBL25716358 0.91 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHTTPIK3CA
SCHEMBL25844442 0.91 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EHTTGAA
SCHEMBL25605288 0.91 LMNA (0.36) ALDH1A1MAPTKDM4EHTTGAA
SCHEMBL25844700 0.90 ALK (0.34) ALDH1A1MAPTKDM4EHTTGAA

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