SCHEMBL9459406

SCHEMBL9459406

C[CH]C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
GPR84 Q9NQS5 7/20 0.54
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 5/20 0.54
TSHR P16473 5/20 0.54
PTPN1 P18031 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
ALOX15 P16050 1/20 0.54
PDE4A P27815 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL9114320 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL15809443 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL6467971 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL10920598 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL1898398 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL17078442 1.00 CES2 (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL1551782 0.97
SCHEMBL3076861 0.90
SCHEMBL7853657 0.89 PPARG (0.66) PPARGPPARDPPARAPTPN1TDP1
SCHEMBL10808210 0.82 POLB (0.70) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112823170-B Fluoropolymer and surface treatment agent 大金工业株式会社 2023-09-29 CN claimed
CN-112823170-A Fluorine-containing polymer and surface treatment agent 大金工业株式会社 2021-05-18 CN claimed
CN-114867815-B Water repellent composition, method for producing water repellent composition, and fiber product 三井化学株式会社 2024-05-17 CN disclosed
CN-113412323-B Water repellent composition 大金工业株式会社 2024-04-09 CN disclosed
CN-117642468-A Oil-resistant agent composition 大金工业株式会社 2024-03-01 CN disclosed
CN-112823170-B Fluoropolymer and surface treatment agent 大金工业株式会社 2023-09-29 CN disclosed
CN-111032816-B Water-repellent composition 大金工业株式会社 2023-02-28 CN disclosed
CN-115515996-A Amide compound 大金工业株式会社 2022-12-23 CN disclosed
CN-114867815-A Water repellent composition, method for producing water repellent composition, and fiber product 三井化学株式会社 2022-08-05 CN disclosed
CN-113412323-A Water-repellent composition 大金工业株式会社 2021-09-17 CN disclosed
CN-112823170-A Fluorine-containing polymer and surface treatment agent 大金工业株式会社 2021-05-18 CN disclosed
CN-112513370-A Oil proofing agent for paper 大金工业株式会社 2021-03-16 CN disclosed
CN-111742031-A Surface treating agent 大金工业株式会社 2020-10-02 CN disclosed
CN-111032816-A Water-repellent composition 大金工业株式会社 2020-04-17 CN disclosed
CN-110934938-A A pharmaceutical composition for foot and its preparation method 谷雨 2020-03-31 CN disclosed
EP-0293953-B1 QUATERNARY MONO-ESTER AMMONIUM COMPOUNDS AS FIBRE AND FABRIC TREATMENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-09-15 EP disclosed
US-5194650-A Chemical intermediates which can be hydrolyzed to form arylcyclohexadionethiocarboxylic S-ester as bioregulators BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5130453-A Multistage reaction of acylcyclohexadione, reaction with hydroxylamine derivative and mercaptan BASF AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
US-4808321-A SOFTENERS, ANTISTATIC AGENTS; AMPHOTERICS; HYDROLYTIC STABILITY THE PROCTER & GAMBLE COMPANY (US) 1989-02-28 US disclosed
EP-0293953-A2 Quaternary mono-ester ammonium compounds as fibre and fabric treatment compositions THE PROCTER & GAMBLE COMPANY (US) 1988-12-07 EP disclosed