SCHEMBL25836787

SCHEMBL25836787

COCCC1(CCOC)c2cc(C#N)ccc2-c2c1cc(O)c1cc(OC)c(OC)cc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.34
EGLN1 Q9GZT9 1/20 0.33
AR P10275 3/20 0.32
PRKDC P78527 1/20 0.32
CYP19A1 P11511 2/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
CHEK1 O14757 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
PDGFRB P09619 2/20 0.30
SLC6A4 P31645 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
SCHEMBL25875884 0.87 ALK (0.35) ALKARPRKDCCYP19A1CTDSP1
SCHEMBL25837296 0.82 PDK2 (0.35) CHEK1GSK3B
SCHEMBL1009801 0.82 ALK (0.43) ALKAR
SCHEMBL25836793 0.82 KCNH2 (0.35) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL25836778 0.78 TDO2 (0.36)
SCHEMBL1812178 0.74 CHEK1 (0.37) ALKARPRKDCCTDSP1CHEK1
SCHEMBL25837171 0.74 PDK2 (0.30)
SCHEMBL30658970 0.73 GSK3B (0.32) CDK1GSK3B
SCHEMBL27083297 0.73 GSK3B (0.32) CDK1GSK3B
SCHEMBL25836780 0.72 ABL1 (0.37)

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