SCHEMBL25836786

SCHEMBL25836786

CCOCCCC1(CCCOCC)c2ccccc2-c2c1cc(O)c1cc(OC)ccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
PDK2 Q15119 4/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
APP P05067 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL26452397 0.87 MEN1 (0.39) MEN1KMT2AGAAPDK2ALDH1A1
SCHEMBL25836773 0.85 APP (0.33) MEN1KMT2AGAAPDK2ALDH1A1
SCHEMBL26629607 0.84 MEN1 (0.40) MEN1KMT2AGAAPDK2ALDH1A1
SCHEMBL25837574 0.84 GAA (0.36) MEN1KMT2AGAAPDK2ALDH1A1
SCHEMBL25875881 0.82 PDK2 (0.38) MEN1KMT2AGAAPDK2
SCHEMBL25876827 0.81 PDK2 (0.42) MEN1KMT2AGAAPDK2
SCHEMBL28687527 0.78 GAA (0.38) MEN1KMT2AGAAPDK2ALDH1A1
SCHEMBL10018176 0.77 MEN1 (0.44) MEN1KMT2AGAAPDK2ALDH1A1
SCHEMBL3947184 0.77 KMT2A (0.42) MEN1KMT2AGAAPDK2CYP1A2
SCHEMBL8513625 0.76 MEN1 (0.43) MEN1KMT2AGAAPDK2ALDH1A1

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