SCHEMBL3677501

SCHEMBL3677501

O=C1c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(=O)N1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
PRKCA P17252 1/20 0.47
IDH1 O75874 1/20 0.42
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GLO1 Q04760 2/20 0.39
ERCC1 P07992 2/20 0.39
FEN1 P39748 2/20 0.39
ERCC4 Q92889 2/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 3/20 0.37

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
SCHEMBL31098415 1.00 MAPT (0.50) MAPTLMNAHTTPRKCAIDH1
SCHEMBL31098416 1.00 MAPT (0.50) MAPTLMNAHTTPRKCAIDH1
SCHEMBL3876865 0.78 PTGS2 (0.44) MAPTLMNAHTTIDH1GLO1
SCHEMBL9330751 0.74 CYP1A2 (0.43) MAPTLMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL216526 0.72 ALDH1A1 (0.67) MAPTLMNAHTTKMT2APDE4A
SCHEMBL28258765 0.71 P2RX7 (0.46) MAPTIDH1HDAC4HDAC2HDAC8
SCHEMBL21385841 0.70 IDH1 (0.41) MAPTLMNAHTTIDH1HDAC4
SCHEMBL5637259 0.69 ALDH1A1 (0.61) MAPTLMNAHTTKMT2APDE4A
SCHEMBL1410 0.69 ERCC1 (0.62) MAPTLMNAHTTERCC1FEN1
SCHEMBL29361703 0.69 ERCC1 (0.62) MAPTLMNAHTTERCC1FEN1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925406-B Preparation method and application of 7-ketocholesterol acetate 上虞新和成生物化工有限公司 2021-08-17 CN claimed
CN-108863757-B Method for coproducing methyl benzoic acid, methyl benzonitrile and phthalonitrile 江西科苑生物股份有限公司 2021-05-11 CN claimed
CN-110885354-B Preparation method of 7-ketone-cholesterol acetate 浙江新和成股份有限公司 2021-04-02 CN claimed
CN-108047034-B Method for coproducing methyl benzoic acid, methyl benzoate and phthalic diester 江西科苑生物股份有限公司 2021-02-02 CN claimed
CN-111925406-A Preparation method and application of 7-ketocholesterol acetate 上虞新和成生物化工有限公司 2020-11-13 CN claimed
CN-108117486-B Method for coproducing methyl benzoic acid, methyl benzoyl chloride and phthaloyl chloride 江西科苑生物药业有限公司 2020-10-20 CN claimed
CN-110885354-A Preparation method of 7-ketone-cholesterol acetate 浙江新和成股份有限公司 2020-03-17 CN claimed
CN-108863757-A A kind of coproducing methyl benzoic acid, methyl benzonitrile and benzene dicarbonitrile method 江西科苑生物药业有限公司 2018-11-23 CN claimed
CN-108117486-A A kind of method of coproducing methyl benzoic acid, methyl benzoyl chloride and phthalyl chloride 江西科苑生物药业有限公司 2018-06-05 CN claimed
CN-108047034-A A kind of method of coproducing methyl benzoic acid, methyl benzoic acid ester and ester 江西科苑生物药业有限公司 2018-05-18 CN claimed
CN-105601473-B A kind of method of toluene oxidation coproduction phenmethylol, benzaldehyde and benzoic acid 江西科苑生物药业有限公司 2017-12-12 CN claimed
CN-105384622-B A kind of process of cyclohexane oxidation adipic acid 江西科苑生物药业有限公司 2017-08-04 CN claimed
CN-105237343-B A kind of method of coproducing methyl phenmethylol, tolyl aldehyde and methyl benzoic acid 江西科苑生物药业有限公司 2017-05-31 CN claimed
CN-105254491-B A kind of coproduction adipic acid and the method for KA oil 江西科苑生物药业有限公司 2017-03-08 CN claimed
CN-102329202-A Method for preparing oxoisophorone from alpha-isophorone UNIV CENTRAL SOUTH 2012-01-25 CN claimed
US-7718564-B2 Partially decomposed catalyst and hydrocarbon oxidation processes using the same EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2010-05-18 US claimed
US-20060293544-A1 Partially decomposed catalyst and hydrocarbon oxidation processes using the same EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2006-12-28 US claimed
CN-111925406-B Preparation method and application of 7-ketocholesterol acetate 上虞新和成生物化工有限公司 2021-08-17 CN disclosed
US-7718564-B2 Partially decomposed catalyst and hydrocarbon oxidation processes using the same EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2010-05-18 US disclosed
US-20060293544-A1 Partially decomposed catalyst and hydrocarbon oxidation processes using the same EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2006-12-28 US disclosed