SCHEMBL28692452

SCHEMBL28692452

CCOC(=O)c1cc(C)c(C(=O)OCC)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
CA7 P43166 4/20 0.62
CA9 Q16790 4/20 0.62
CA14 Q9ULX7 4/20 0.62
CYP3A4 P08684 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.56
NR1H2 P55055 1/20 0.55
NR1H3 Q13133 1/20 0.55
HPGD P15428 2/20 0.54
ESR1 P03372 3/20 0.52
ESR2 Q92731 1/20 0.52
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAOA P21397 1/20 0.50
CYP2C9 P11712 1/20 0.49

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
SCHEMBL7241195 0.88 CYP3A4 (0.56) CA12CA1CA2CA7CA9
SCHEMBL571273 0.85 CYP3A4 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13140800 0.85 CYP3A4 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1664013 0.84 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL10455858 0.83 CYP3A4 (0.59) CA12CA1CA2CA7CA9
SCHEMBL12207101 0.83 CYP3A4 (0.82) CA12CA1CA2CA7CA9
SCHEMBL869061 0.83 ESR1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL25276513 0.82 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL16509646 0.82 CYP3A4 (0.58) CA12CA1CA2CA7CA9
SCHEMBL11215789 0.82 CYP3A4 (0.58) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478350-A Poly (isomonoolefin) copolymer and application thereof 北京石油化工学院 2023-07-25 CN claimed
CN-113912795-B Polyisomonoolefin copolymer, preparation method thereof, initiator and application 北京石油化工学院 2022-11-22 CN claimed
CN-113912795-A Polyisomonoolefin copolymer, preparation method thereof, initiator and application 北京石油化工学院 2022-01-11 CN claimed
CN-116478350-A Poly (isomonoolefin) copolymer and application thereof 北京石油化工学院 2023-07-25 CN disclosed
CN-116425930-A Poly (isomonoolefin) copolymer, initiator system and application 北京石油化工学院 2023-07-14 CN disclosed
CN-113912795-B Polyisomonoolefin copolymer, preparation method thereof, initiator and application 北京石油化工学院 2022-11-22 CN disclosed
CN-113912795-A Polyisomonoolefin copolymer, preparation method thereof, initiator and application 北京石油化工学院 2022-01-11 CN disclosed