SCHEMBL28622257

SCHEMBL28622257

CCC(C)(C)OOC(=O)CCCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4C Q9H3R0 2/20 0.34
KDM4A O75164 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CETP P11597 1/20 0.32
MAPK1 P28482 1/20 0.31
DGKA P23743 1/20 0.31
CA1 P00915 1/20 0.31
BLM P54132 1/20 0.30
ALOX15 P16050 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
SCHEMBL223340 0.98 LMNA (0.39) LMNAL3MBTL1KDM4CKDM4APHF8
SCHEMBL29468141 0.89 LMNA (0.37) LMNAL3MBTL1KDM4CKDM4APHF8
SCHEMBL9850311 0.87 KDM4C (0.37) LMNAL3MBTL1KDM4CKDM4APHF8
Toluene SCHEMBL16280065 0.85 MEN1 (0.36)
SCHEMBL9730379 0.84 KDM4C (0.37) LMNAL3MBTL1KDM4CKDM4APHF8
SCHEMBL2697539 0.84 KDM4C (0.36) LMNAL3MBTL1KDM4CKDM4APHF8
SCHEMBL648842 0.83 KDM4C (0.39) LMNAL3MBTL1KDM4CKDM4APHF8
SCHEMBL5009818 0.82 DGKA (0.47) LMNAMAPTTSHRMAPK1DGKA
SCHEMBL29723332 0.81 LMNA (0.41) LMNAL3MBTL1KDM4CKDM4APHF8
SCHEMBL2137991 0.81 DGKA (0.50) LMNAMAPTTSHRTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115855923-B Composition for detecting fecal occult blood and preparation method and application thereof 上海佩格医院管理有限公司 2024-08-16 CN claimed
CN-115855923-B Composition for detecting fecal occult blood and preparation method and application thereof 上海佩格医院管理有限公司 2024-08-16 CN disclosed
CN-113336900-B Polymer polyol and polyurethane foam 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-113336900-A Polymer polyol and polyurethane foam 万华化学集团股份有限公司 2021-09-03 CN disclosed