SCHEMBL28484454

SCHEMBL28484454

COc1ccc(OC)c2c1C=C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
CA1 P00915 4/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA12 O43570 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA4 P22748 1/20 0.47
ACHE P22303 1/20 0.43
NR3C1 P04150 1/20 0.41
NQO1 P15559 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
G6PD P11413 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5084300 0.81 CA2 (0.38) CA2CA1CA7CA9CA12
SCHEMBL27282347 0.79 CA2 (0.36) CA2CA1CA7CA9CA12
SCHEMBL28331512 0.79 CA2 (0.36) CA2CA1CA7CA9CA12
SCHEMBL28066482 0.75 CA2 (0.33) CA2CA1CA7CA9CA12
SCHEMBL30492232 0.75 TOP1 (0.55) CA2CA1CA7CA9ACHE
SCHEMBL29018332 0.75 TOP1 (0.55) CA2CA1CA7CA9ACHE
SCHEMBL3179355 0.73 NQO1 (0.67) CA2CA1CA7CA9CA12
SCHEMBL29442958 0.72 CA2 (0.53) CA2CA1CA7CA9CA12
SCHEMBL357981 0.72 CA2 (0.53) CA2CA1CA7CA9CA12
SCHEMBL8908569 0.70 ADRA1A (0.42) CA2CA1CA7CA9CA12

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
CN-112015049-A Resist underlayer composition and pattern forming method using the same 罗门哈斯电子材料有限责任公司 2020-12-01 CN disclosed