SCHEMBL28039181

SCHEMBL28039181

O=C(O)/C(C(=O)OC1CCCCC1)=C(\C(=O)O)C(=O)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CYP2C19 P33261 1/20 0.40
NAAA Q02083 2/20 0.39
HTT P42858 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
CYP19A1 P11511 3/20 0.36
GPR35 Q9HC97 1/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
THRA P10827 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
SCHEMBL1585325 0.86 EPHX1 (0.48) EPHX1CA12CA1CA2CA9
SCHEMBL28964356 0.86 EPHX1 (0.48) EPHX1CA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL669341 0.84 EPHX1 (0.47) EPHX1CA12CA1CA2CA9
SCHEMBL2968824 0.83 EPHX1 (0.45) EPHX1CA12CA1CA2CA9
SCHEMBL2999385 0.83 EPHX1 (0.54) EPHX1CA12CA1CA2CA9
SCHEMBL11591531 0.80 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL6655840 0.78 EPHX1 (0.42) EPHX1CA12CA1CA2CA9
SCHEMBL20573315 0.78 EPHX1 (0.50) EPHX1CA12CA1CA2CA9
SCHEMBL28323024 0.78 EPHX1 (0.40) EPHX1CA12CA1CA2CA9
SCHEMBL6623051 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103443203-B Hydrolytic resistance polymeric amide BASF SE (DE) 2015-12-02 CN disclosed