SCHEMBL25844442

SCHEMBL25844442

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRKDC P78527 1/20 0.32
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
EGFR P00533 1/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL25844445 0.96 MAPT (0.33) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL25844452 0.94 ALK (0.33) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL15763099 0.93 PRKDC (0.32) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL25844451 0.92 ALK (0.33) ALDH1A1MAPTPKMHTTNPSR1
SCHEMBL25605051 0.92 DRD2 (0.34) ALDH1A1MAPTNPSR1PRKDCDRD2
SCHEMBL25605495 0.92 PIK3CA (0.36) ALDH1A1MAPTPKMNPSR1PRKDC
SCHEMBL25844455 0.91 ALDH1A1 (0.33) ALDH1A1MAPTHTTPRKDCKDM4E
SCHEMBL26660064 0.90 DRD2 (0.31) ALDH1A1PRKDCDRD2DRD4HRH2
SCHEMBL25849353 0.90 TNIK (0.37) ALDH1A1MAPTNPSR1PRKDCEGFR

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