SCHEMBL5844802

SCHEMBL5844802

O=C(O)C(Cl)CCCCC(Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.48
LMNA P02545 1/20 0.44
RNPEP Q9H4A4 1/20 0.42
ALDH1A1 P00352 2/20 0.40
GSR P00390 1/20 0.39
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
DDAH1 O94760 1/20 0.36
FOLH1 Q04609 1/20 0.36
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
TSHR P16473 1/20 0.35
ARG1 P05089 3/20 0.34
ARG2 P78540 3/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL5844804 0.97 TBXAS1 (0.52) TBXAS1LMNARNPEPALDH1A1GSR
SCHEMBL9620658 0.97 TBXAS1 (0.52) TBXAS1LMNARNPEPALDH1A1GSR
SCHEMBL9620650 0.97 TBXAS1 (0.52) TBXAS1LMNARNPEPALDH1A1GSR
SCHEMBL689688 0.97 TBXAS1 (0.52) TBXAS1LMNARNPEPALDH1A1GSR
SCHEMBL688373 0.97 TBXAS1 (0.52) TBXAS1LMNARNPEPALDH1A1GSR
SCHEMBL9183195 0.97 TBXAS1 (0.52) TBXAS1LMNARNPEPALDH1A1GSR
SCHEMBL688511 0.97 TBXAS1 (0.52) TBXAS1LMNARNPEPALDH1A1GSR
SCHEMBL628995 0.94 LMNA (0.44) TBXAS1LMNARNPEPALDH1A1GSR
SCHEMBL10558077 0.89 TBXAS1 (0.43) TBXAS1LMNARNPEPALDH1A1GSR
SCHEMBL11688424 0.89 TBXAS1 (0.43) TBXAS1LMNARNPEPALDH1A1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114262273-A Novel degradable quaternary ammonium salt with high antibacterial activity and synthesis method thereof 安徽大学 2022-04-01 CN claimed
CN-114262273-A Novel degradable quaternary ammonium salt with high antibacterial activity and synthesis method thereof 安徽大学 2022-04-01 CN disclosed
WO-2020253077-A1 USE OF DICARBOXYLIC ACID COMPOUNDS FOR CONTROLLING PLANT DISEASES CHINA AGRICULTURAL UNIVERSITY (CN) 2020-12-24 WO disclosed
CN-1984981-B Lubricating oil additive containing acrylic polymer and lubricating oil composition KURARAY CO 2010-11-17 CN disclosed
CN-1984981-A Lubricating oil additive containing acrylic polymer and lubricating oil composition KURARAY CO (JP) 2007-06-20 CN disclosed
US-7101630-B2 Diarylamino group-containing copolymer, organic electroluminescent device, and method of producing hole transport layer for organic electroluminescent device KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2006-09-05 US disclosed
US-20050008893-A1 Diarylamino group-containing copolymer, organic electroluminescent device, and method of producing hole transport layer for organic electroluminescent device KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2005-01-13 US disclosed
EP-0279978-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING ALPHA-HALOGENATED DICARBOXYLIC ACIDS Epis S.A. (CH) 1992-01-02 EP disclosed
US-4908385-A Pharmaceuticals EPIS S.A. (CH) 1990-03-13 US disclosed
EP-0279978-A1 Pharmaceutical compositions containing alpha-halogenated dicarboxylic acids Epis S.A. (CH) 1988-08-31 EP disclosed
WO-1988002746-A1 MEDICAMENTS CONTAINING ALPHA-HALOGENATED DICARBOXYLIC ACIDS EPIS S.A. (CH) 1988-04-21 WO disclosed
US-4214071-A Amide-imide polymers WESTINGHOUSE ELECTRIC CORP. (US) 1980-07-22 US disclosed