SCHEMBL28964356

SCHEMBL28964356

O=C(O)C(=O)OC1CCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CYP2C19 P33261 1/20 0.42
NAAA Q02083 2/20 0.41
HTT P42858 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
STS P08842 3/20 0.39
CYP19A1 P11511 1/20 0.38
GPR35 Q9HC97 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL1585325 1.00 EPHX1 (0.48) EPHX1CA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL669341 0.98 EPHX1 (0.47) EPHX1CA12CA1CA2CA9
SCHEMBL2968824 0.97 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
SCHEMBL2999385 0.87 EPHX1 (0.54) EPHX1CA12CA1CA2CA9
SCHEMBL29049536 0.87
SCHEMBL11591531 0.84 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL6655840 0.82 EPHX1 (0.42) EPHX1CA12CA1CA2CA9
SCHEMBL20573315 0.82 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
Hydrazine SCHEMBL4041034 0.82 SERPINE1 (0.33) EPHX1STSGPR35
SCHEMBL6623051 0.81 EPHX1 (0.48) EPHX1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120036333-A Weeding composition for preventing and treating inula flowers and application thereof 安徽丰乐农化有限责任公司 2025-05-27 CN disclosed
CN-112741096-B Herbicidal compositions comprising N- (1, 3, 4-oxadiazol-2-yl) arylcarboxamides and their use 江苏清原农冠杂草防治有限公司 2023-01-31 CN disclosed
CN-112741097-B Herbicidal compositions comprising N- (1, 3, 4-oxadiazol-2-yl) arylcarboxamides and their use 江苏清原农冠杂草防治有限公司 2022-11-29 CN disclosed