SCHEMBL27768435

SCHEMBL27768435

CCCC(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.62
CTNNB1 P35222 1/20 0.62
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 5/20 0.48
KDM4E B2RXH2 1/20 0.48
TTR P02766 2/20 0.48
KMT2A Q03164 3/20 0.46
HSPB1 P04792 3/20 0.46
MEN1 O00255 2/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL27988647 0.91 ALDH1A1 (0.59) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL10071375 0.88 TTR (0.50) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL5917477 0.84 BCL9 (0.50) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL27646623 0.84 BCL9 (0.61) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL10808810 0.84 BCL9 (0.50) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL4368018 0.84 BCL9 (0.61) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL5917466 0.84 BCL9 (0.50) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL12065295 0.83 BCL9 (0.59) BCL9CTNNB1ALDH1A1TDP1MAPT
SCHEMBL6794871 0.83 ALOX15 (0.50) BCL9CTNNB1ALDH1A1MAPTKMT2A
SCHEMBL20591957 0.83 MAPT (0.49) BCL9CTNNB1ALDH1A1TDP1MAPT

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-119709512-A Lactobacillus rhamnosus GYX-9 and application thereof 南京师范大学 2025-03-28 CN disclosed
CN-213528613-U Oil bath heating reaction kettle for producing ethyl bis (2, 4-dinitrobenzene) acetate 上海优合生物科技有限公司 2021-06-25 CN disclosed
CN-213528613-U Oil bath heating reaction kettle for producing ethyl bis (2, 4-dinitrobenzene) acetate 上海优合生物科技有限公司 2021-06-25 CN disclosed
CN-109206470-B Preparation method and novel medical application of echinocystic acid derivative 吉林省中医药科学院(吉林省中医药科学院第一临床医院) 2020-12-11 CN disclosed
CN-107921171-A Wetness indicator composition comprising leuco dye 萨瓦雷I.C.股份有限公司 2018-04-17 CN disclosed
CN-106573084-A Wetness indicator with permanent colorant 宝洁公司 2017-04-19 CN disclosed
CN-104876855-A Deoxynojirimycin And D-arabinitol Analogs And Methods Of Using UNITED THERAPEUTICS CORP 2015-09-02 CN disclosed
CN-102971792-A Optical recording medium SONY CORP 2013-03-13 CN disclosed
CN-101489554-A Deoxygirithromycin and D-arabinitol analogs and methods of use UNITED THERAPEUTICS CORP (US) 2009-07-22 CN disclosed