SCHEMBL25875886

SCHEMBL25875886

COc1cc2c(O)cc3c(c2cc1N1CCOCC1)-c1ccc(-c2ccccc2)cc1C3(CCC(F)(F)F)CCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
TSHR P16473 4/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 2/20 0.37
S1PR1 P21453 1/20 0.35
LMNA P02545 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
AGER Q15109 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRKDC P78527 3/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL1816802 0.84 ALDH1A1 (0.40) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL25875866 0.83 PTPN1 (0.35) KDM4EALDH1A1L3MBTL1HPGDS1PR1
SCHEMBL25875879 0.83 PDK2 (0.39) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL25836790 0.80 PTPN1 (0.33) KDM4ETSHRALDH1A1HPGDLMNA
SCHEMBL25836761 0.79 ALDH1A1 (0.40) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL25875873 0.79 IDO1 (0.36) GAA
SCHEMBL26629591 0.78 ALDH1A1 (0.41) KDM4ETSHRGAAALDH1A1L3MBTL1
SCHEMBL25875772 0.77 PRKDC (0.32) KDM4ES1PR1TDP1DGAT1SOAT1
SCHEMBL1816275 0.76 KDM4E (0.36) KDM4ETSHRALDH1A1L3MBTL1HPGD
SCHEMBL164608 0.75 TSHR (0.41) KDM4ETSHRGAAALDH1A1L3MBTL1

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-2023140186-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-27 WO disclosed