SCHEMBL25837296

SCHEMBL25837296

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.35
EP300 Q09472 1/20 0.34
PARP1 P09874 1/20 0.33
GAA P10253 3/20 0.32
HPGD P15428 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 2/20 0.31
CHEK1 O14757 1/20 0.31
CHEK2 O96017 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 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
SCHEMBL25836780 0.88 ABL1 (0.37) PDK2KMT2AMEN1MAPTMAPK1
SCHEMBL26629573 0.86 PDK2 (0.37) PDK2EP300PARP1GAAHPGD
SCHEMBL25836761 0.84 ALDH1A1 (0.40) PARP1GAAHPGDKMT2ATSHR
SCHEMBL25836768 0.84 HSP90AA1 (0.36) PDK2GAAHPGDKMT2AMEN1
SCHEMBL25836793 0.83 KCNH2 (0.35) GAAHPGDKMT2AMEN1GSK3B
SCHEMBL25837574 0.82 GAA (0.36) PDK2GAAHPGDKMT2AMEN1
SCHEMBL25836787 0.82 ALK (0.34) CHEK1GSK3B
SCHEMBL26629576 0.80 PDK2 (0.34) PDK2EP300PARP1GAAHPGD
SCHEMBL165110 0.79 PDK2 (0.40) PDK2EP300PARP1GAAHPGD
SCHEMBL30125362 0.79 PDK2 (0.40) PDK2EP300PARP1GAAHPGD

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