SCHEMBL4023693

SCHEMBL4023693

NC1=C(C(=O)O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 6/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP15 Q460N3 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GRIK1 P39086 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ TRIM24 O15164 1/20 0.30

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
SCHEMBL10123519 1.00 TSHR (0.32) TSHRALDH1A1PARP1PARP15PARP10
SCHEMBL2209103 0.95 — —
SCHEMBL16087240 0.83 — —
SCHEMBL14081363 0.82 KDM4E (0.38) ALDH1A1PARP1PARP15PARP10KDM4E
SCHEMBL8197869 0.82 KDM4E (0.38) ALDH1A1PARP1PARP15PARP10KDM4E
SCHEMBL17024327 0.80 DHODH (0.41) TSHRALDH1A1PARP1PARP15PARP10
SCHEMBL17024326 0.80 DHODH (0.41) TSHRALDH1A1PARP1PARP15PARP10
SCHEMBL12491709 0.80 DHODH (0.41) TSHRALDH1A1PARP1PARP15PARP10
SCHEMBL217840 0.80 DHODH (0.41) TSHRALDH1A1PARP1PARP15PARP10
SCHEMBL12491707 0.80 DHODH (0.41) TSHRALDH1A1PARP1PARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111793045-B Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2021-04-16 — — CN claimed
CN-111793045-A Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2020-10-20 — — CN claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
WO-2022224778-A1 TEMPERATURE-RESPONSIVE POLYMER AND WATER-BASED TEMPERATURE-RESPONSIVE COMPOSITION 公立大学法人大阪 2022-10-27 — — WO disclosed
CN-111793045-B Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2021-04-16 — — CN disclosed
CN-111793045-B Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2021-04-16 — — CN disclosed
CN-111793045-A Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2020-10-20 — — CN disclosed
CN-111793045-A Oxabicyclo [4.1.0] heptane-1-carboxylic acid derivatives, their preparation, compositions and uses 中山万远新药研发有限公司 2020-10-20 — — CN disclosed
CN-111517978-A cyclohexenyl-DL-aspartic acid derivative, preparation method, composition and application thereof 中山万汉制药有限公司 2020-08-11 — — CN disclosed
EP-1551812-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-03-04 — — EP disclosed
US-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 — — US disclosed
US-5648516-A INTERFERON BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-15 — — US disclosed
US-5627281-A CHEMCAL INTERMEDIATES FOR VIRICIDES BY INDUCING SYNTHESIS OF INTERFERONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-06 — — US disclosed
EP-0708773-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 — — EP disclosed
US-5444065-A Viricides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-22 — — US disclosed
WO-1995002598-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 — — WO disclosed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 — — US disclosed
US-4673631-A OF AN AMINO ACID COMPOUND CANON KABUSHIKI KAISHA (JP) 1987-06-16 — — US disclosed
US-4182623-A HERBICIDES, PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1980-01-08 — — US disclosed
US-4139700-A ACID-CATALYZED CYCLIZATION OF SULFAMOYL ACID OR ESTER MONSANTO COMPANY (US) 1979-02-13 — — US disclosed
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