SCHEMBL4969330

SCHEMBL4969330

O=C(O)CCCC#CCCCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.64
RECQL P46063 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
MAPT P10636 2/20 0.64
BLM P54132 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
USP2 O75604 1/20 0.64
ALDH1A1 P00352 1/20 0.64
POLB P06746 1/20 0.64
HPGD P15428 1/20 0.64
ALOX12 P18054 1/20 0.64
MCL1 Q07820 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HMGCR P04035 3/20 0.62
LMNA P02545 4/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
TSHR P16473 2/20 0.56
NFKB1 P19838 1/20 0.56

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
SCHEMBL4972584 0.94 PTPN7 (0.59) PTPN7RECQLTDP1MAPTBLM
SCHEMBL21682850 0.91 PTPN7 (0.74) PTPN7RECQLTDP1MAPTBLM
SCHEMBL10578073 0.89 PTPN7 (0.55) PTPN7RECQLTDP1MAPTBLM
SCHEMBL9870582 0.89 PTPN7 (0.55) PTPN7RECQLTDP1MAPTBLM
SCHEMBL7647153 0.89 PTPN7 (0.55) PTPN7RECQLTDP1MAPTBLM
SCHEMBL631018 0.88 PTPN7 (0.72) PTPN7RECQLTDP1MAPTBLM
SCHEMBL22540045 0.88 PTPN7 (0.78) PTPN7RECQLTDP1MAPTBLM
SCHEMBL196242 0.88 PTPN7 (0.78) PTPN7RECQLTDP1MAPTBLM
SCHEMBL196457 0.88 PTPN7 (0.78) PTPN7RECQLTDP1MAPTBLM
SCHEMBL11525743 0.87 PTPN7 (0.53) PTPN7RECQLTDP1MAPTBLM

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-115986213-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery 三菱化学株式会社 2023-04-18 CN disclosed
CN-111108642-A Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device 三菱化学株式会社 2020-05-05 CN disclosed
EP-0980016-B1 ALIGNING AGENT FOR LIQUID CRYSTAL NISSAN CHEMICAL IND LTD (JP) 2008-09-24 EP disclosed
EP-0980016-A1 ALIGNING AGENT FOR LIQUID CRYSTAL Nissan Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed