SCHEMBL25836761

SCHEMBL25836761

COCCC1(CCOC)c2ccccc2-c2c1cc(O)c1cc(OC)c(N3CCOCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
MAPT P10636 2/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PRKDC P78527 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL26629591 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EGAAL3MBTL1HPGD
SCHEMBL25836771 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EGAAL3MBTL1HPGD
SCHEMBL164608 0.85 TSHR (0.41) ALDH1A1KDM4EGAAL3MBTL1HPGD
SCHEMBL25837296 0.84 PDK2 (0.35) GAAL3MBTL1HPGDTSHRMAPT
SCHEMBL1093229 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EGAAL3MBTL1HPGD
SCHEMBL3924406 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EGAAL3MBTL1HPGD
SCHEMBL25875866 0.79 PTPN1 (0.35) ALDH1A1KDM4EL3MBTL1HPGDDRD2
SCHEMBL25875886 0.79 KDM4E (0.37) ALDH1A1KDM4EGAAL3MBTL1HPGD
SCHEMBL12424625 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EGAAL3MBTL1HPGD
SCHEMBL10049967 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EGAAL3MBTL1HPGD

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
WO-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed