SCHEMBL25837349

SCHEMBL25837349

Cc1cc(OCc2ccccc2)c2cc3c(cc2c1-c1ccccc1)OC(C)(C)S3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.38
CDK5 Q00535 5/20 0.38
CDK5R1 Q15078 5/20 0.38
CDK1 P06493 5/20 0.38
CCNB1 P14635 5/20 0.38
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
FFAR1 O14842 2/20 0.34
PTGER1 P34995 1/20 0.32
MAOB P27338 3/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL25837352 0.89 GSK3B (0.37) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL25876512 0.78 MAOB (0.49) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL25837218 0.75 CTSV (0.46) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL18827135 0.72 GSK3B (0.55) GSK3BCDK5CDK5R1MAPTFFAR1
SCHEMBL25837150 0.69 MAPT (0.43) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL25876903 0.69 GSK3B (0.51) GSK3BCDK5CDK5R1MAPTMAOB
SCHEMBL17736796 0.69 CCR5 (0.38) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL15490897 0.69 GSK3B (0.35) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL15490899 0.67 GSK3B (0.38) GSK3BCDK5CDK5R1CDK1CCNB1
SCHEMBL25876588 0.67 CDK5 (0.39) GSK3BCDK5CDK5R1CDK1CCNB1

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