SCHEMBL28111022

SCHEMBL28111022

CCCCc1ccc(C(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.59
AKR1C3 P42330 3/20 0.58
PLK1 P53350 5/20 0.58
PLK3 Q9H4B4 3/20 0.58
TRPV1 Q8NER1 1/20 0.56
CDC25B P30305 1/20 0.56
ATM Q13315 1/20 0.56
NR4A1 P22736 1/20 0.54
AGTR1 P30556 1/20 0.53

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
SCHEMBL2944041 0.95 PLK1 (0.64) RARBAKR1C3PLK1PLK3CDC25B
SCHEMBL918747 0.94 PLK1 (0.66) RARBAKR1C3PLK1PLK3
SCHEMBL28013663 0.90 AKR1C3 (0.62) AKR1C3PLK1PLK3CDC25BATM
Phthalic Acid SCHEMBL28390429 0.90 PLK1 (0.61) RARBPLK1PLK3TRPV1
Phthalic Acid SCHEMBL3679549 0.87 PLK1 (0.57) RARBPLK1PLK3TRPV1
SCHEMBL9712617 0.86 PLK1 (0.54) RARBPLK1PLK3TRPV1
SCHEMBL4603474 0.85 TRPV1 (0.64) RARBPLK1TRPV1
SCHEMBL503666 0.84 HDAC1 (0.61) AKR1C3CDC25BATMNR4A1
SCHEMBL11527888 0.84 PLK1 (0.55) RARBPLK1PLK3TRPV1
SCHEMBL31215197 0.83 TRPV1 (0.62) RARBPLK1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104588088-B For preparing catalyst of 2 alkyl-anthraquinones and its preparation method and application 中国石油化工股份有限公司 2017-03-01 CN claimed
CN-104588087-B Catalyst for preparing 2-alkyl anthraquinone, and preparation method and application thereof 中国石油化工股份有限公司 2017-02-01 CN claimed
CN-104588107-B Catalyst used for synthesizing 2-alkylanthraquinone, and preparation method and application thereof 中国石油化工股份有限公司 2017-01-11 CN claimed
CN-104588103-B A kind of catalyst for synthesizing 2-alkyl-anthraquinone and its preparation method and application 中国石油化工股份有限公司 2016-10-26 CN claimed
CN-107879915-A A kind of method that microchannel flow reactor prepares 2 alkyl-anthraquinones 北京石油化工学院 2018-04-06 CN disclosed
CN-104588088-B For preparing catalyst of 2 alkyl-anthraquinones and its preparation method and application 中国石油化工股份有限公司 2017-03-01 CN disclosed
CN-104588087-B Catalyst for preparing 2-alkyl anthraquinone, and preparation method and application thereof 中国石油化工股份有限公司 2017-02-01 CN disclosed
CN-104588107-B Catalyst used for synthesizing 2-alkylanthraquinone, and preparation method and application thereof 中国石油化工股份有限公司 2017-01-11 CN disclosed
CN-104588103-B A kind of catalyst for synthesizing 2-alkyl-anthraquinone and its preparation method and application 中国石油化工股份有限公司 2016-10-26 CN disclosed