SCHEMBL25836768

SCHEMBL25836768

COCCC1(CCOC)c2ccccc2-c2c1cc(O)c1cc3c(cc21)OCO3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 4/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
PDK2 Q15119 1/20 0.31
EDNRA P25101 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL25837296 0.84 PDK2 (0.35) L3MBTL1MAPTHPGDMEN1KMT2A
SCHEMBL25876531 0.82 SCN9A (0.36) HSP90AA1MAPTMEN1KMT2APDK2
SCHEMBL10018217 0.80 HSP90AA1 (0.37) HSP90AA1L3MBTL1MAPTHPGDKDM4E
SCHEMBL12424646 0.78 SCN9A (0.33) HSP90AA1L3MBTL1HPGDALDH1A1
SCHEMBL25836761 0.76 ALDH1A1 (0.40) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL25837574 0.76 GAA (0.36) HSP90AA1MAPTHPGDKDM4EMEN1
SCHEMBL25836780 0.76 ABL1 (0.37) HSP90AA1MAPTKDM4EMEN1LMNA
SCHEMBL25836775 0.76
SCHEMBL10018207 0.74 HSP90AA1 (0.35) HSP90AA1L3MBTL1MAPTHPGDKDM4E
SCHEMBL10018222 0.72 CNR2 (0.36) HSP90AA1MAPTKDM4EMEN1LMNA

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