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SCHEMBL25844458

SCHEMBL25844458

COc1cc2c3c(c4c(c2cc1N1CCOCC1)-c1ccc(C)cc1C4(C)C)C=CC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALK Q9UM73 1/20 0.31
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ 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
SCHEMBL25844442 0.97 ALDH1A1 (0.33) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL25844452 0.97 ALK (0.33) PIK3CAALDH1A1MAPTPKMHTT
SCHEMBL25844451 0.96 ALK (0.33) PIK3CAALDH1A1MAPTPKMHTT
SCHEMBL25844445 0.95 MAPT (0.33) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL25844455 0.94 ALDH1A1 (0.33) PIK3CAALDH1A1MAPTHTTALK
SCHEMBL25605060 0.93 PIK3CA (0.35) PIK3CAALDH1A1MAPTNPSR1STK10
SCHEMBL11995963 0.93 PIK3CA (0.35) PIK3CAALDH1A1MAPTNPSR1STK10
SCHEMBL25844447 0.93 ALK (0.34) PIK3CAALDH1A1MAPTPKMHTT
SCHEMBL15763099 0.92 PRKDC (0.32) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL25844425 0.91 STK10 (0.35) PIK3CAALDH1A1MAPTNPSR1STK10

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