SCHEMBL28565161

SCHEMBL28565161

CCOP(=O)(Cc1c(C)cc(C)cc1C)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.42
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PGK1 P00558 2/20 0.37
PGK2 P07205 2/20 0.37
PPARD Q03181 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
EGFR P00533 2/20 0.35
KDM4E B2RXH2 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL24357611 0.85 MAPT (0.41) MAPTHTTTSHRMEN1KMT2A
SCHEMBL15367919 0.77 TSHR (0.50) MAPTHTTTSHRMEN1KMT2A
SCHEMBL11285838 0.77 EGFR (0.41) MAPTHTTTSHRMEN1KMT2A
SCHEMBL11167986 0.76 MEN1 (0.39) MAPTHTTTSHRMEN1KMT2A
SCHEMBL12895124 0.76 PGK1 (0.45) MAPTHTTTSHRMEN1KMT2A
SCHEMBL5051561 0.76 MAPT (0.42) MAPTHTTTSHRMEN1KMT2A
SCHEMBL24357749 0.75 MAPT (0.37) MAPTHTTTSHRMEN1KMT2A
SCHEMBL30626591 0.75 MAPT (0.37) MAPTHTTTSHRMEN1KMT2A
SCHEMBL2304233 0.75 AOX1 (0.50) HTTMEN1KMT2APOLBGAA
SCHEMBL11315615 0.74 PGK1 (0.45) TSHRMEN1KMT2APGK1PGK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812685-B Photocuring anti-doodling coating with self-healing function and preparation method and application thereof 江南大学 2022-06-28 CN disclosed
CN-112812685-A Photocuring anti-doodling coating with self-healing function and preparation method and application thereof 江南大学 2021-05-18 CN disclosed