SCHEMBL9312475

SCHEMBL9312475

CCCCCC(=CO)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
POLA1 P09884 1/20 0.44
CES2 O00748 4/20 0.43
CES1 P23141 4/20 0.43
AKR1B1 P15121 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
PTPN1 P18031 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL9312471 1.00 POLB (0.44) POLBPOLA1CES2CES1AKR1B1
SCHEMBL9817626 0.98 POLB (0.47) POLBPOLA1CES2CES1HSP90AA1
SCHEMBL28230232 0.98 POLB (0.47) POLBPOLA1CES2CES1HSP90AA1
SCHEMBL27822330 0.98 POLB (0.47) POLBPOLA1CES2CES1HSP90AA1
SCHEMBL27880530 0.98 POLB (0.47) POLBPOLA1CES2CES1HSP90AA1
SCHEMBL9817630 0.98 POLB (0.47) POLBPOLA1CES2CES1HSP90AA1
SCHEMBL27309128 0.94 CES1 (0.41) POLBPOLA1CES2CES1AKR1B1
SCHEMBL28200375 0.90 FAAH (0.54) POLBPPARGPPARDPPARAPTPN1
Ethylene Glycol SCHEMBL28217841 0.89 CES1 (0.37) POLBPOLA1CES2CES1ALDH1A1
SCHEMBL29643092 0.86 POLB (0.46) POLBPOLA1CES2CES1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963915-A NON-AQUEOUS INKJET INK COMPOSITION 阪田油墨股份有限公司 2019-07-02 CN disclosed
CN-109563365-A Non-aqueous ink-jet yellow ink composition 阪田油墨股份有限公司 2019-04-02 CN disclosed
CN-108473806-A Non-aqueous ink-jet orange ink composition and use its ink assembly 阪田油墨股份有限公司 2018-08-31 CN disclosed
US-5366984-A Fungicides, insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-11-22 US disclosed
US-5294628-A Fungicides, insecticides, pesticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-15 US disclosed
EP-0378755-B1 Heterocyclically substituted alpha-aryl acryl acid methyl esters and their use BASF AG (DE) 1993-12-29 EP disclosed
EP-0393428-B1 Oxiran-phenylesters and fungicides containing these BASF AG (DE) 1993-10-27 EP disclosed
US-5250553-A Fungicides; pesticides BASF AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed
US-5166216-A Fungicides, pesticides, insecticides BASF AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
US-5077303-A OXIRANE PHENYL ESTERS AND FUNGICIDES CONTAINING THESE BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed
EP-0393428-A1 Oxiran-phenylesters and fungicides containing these BASF Aktiengesellschaft (DE) 1990-10-24 EP disclosed