SCHEMBL28659596

SCHEMBL28659596

CCOC(=O)c1ccc(-c2ccc(O)c(C)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.63
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
CA7 P43166 4/20 0.63
CA9 Q16790 4/20 0.63
CA14 Q9ULX7 4/20 0.63
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
HSD17B2 P37059 4/20 0.56
LMNA P02545 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
HSD17B1 P14061 3/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
STS P08842 1/20 0.49
PDK2 Q15119 1/20 0.48

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
SCHEMBL5308531 0.87 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL334524 0.86 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL31347271 0.84 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL30016425 0.84 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL345875 0.84 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL6939271 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL1965326 0.84 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL16351874 0.84 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL498118 0.83 ERN1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL9252178 0.83 MCL1 (0.62) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113748021-B Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2024-07-05 CN claimed
CN-113748021-B Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2024-07-05 CN disclosed
CN-113748021-A Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2021-12-03 CN disclosed