SCHEMBL25844452

SCHEMBL25844452

COc1cc2c3c(c4c(c2cc1N1CCOCC1)-c1ccc(C)cc1C4(C)C)C=CC(c1ccc(N2CCOCC2)cc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.33
PIK3CA P42336 3/20 0.31
TGFBR1 P36897 1/20 0.30
ACVR1 Q04771 1/20 0.30
HIF1A Q16665 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CHEK1 O14757 1/20 0.30
PRKDC P78527 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
SCHEMBL25844458 0.97 PIK3CA (0.32) ALKPIK3CAALDH1A1MAPTPKM
SCHEMBL25844455 0.97 ALDH1A1 (0.33) ALKPIK3CAALDH1A1MAPTHTT
SCHEMBL25844447 0.95 ALK (0.34) ALKPIK3CATGFBR1ACVR1HIF1A
SCHEMBL15763099 0.95 PRKDC (0.32) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL25844442 0.94 ALDH1A1 (0.33) ALKALDH1A1MAPTPKMHTT
SCHEMBL25844449 0.92 MAPT (0.35) ALKPIK3CAHIF1AALDH1A1MAPT
SCHEMBL25844451 0.92 ALK (0.33) ALKPIK3CATGFBR1ACVR1HIF1A
SCHEMBL25844445 0.92 MAPT (0.33) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL25844425 0.91 STK10 (0.35) PIK3CAHIF1AALDH1A1MAPTNPSR1
SCHEMBL25716497 0.90 TNIK (0.37) ALDH1A1MAPTNPSR1

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