SCHEMBL9803202

SCHEMBL9803202

CCCCNC(=CCC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.42
ALOX15 P16050 1/20 0.42
EPHX2 P34913 5/20 0.41
ACHE P22303 6/20 0.40
MMP2 P08253 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL9803199 1.00 EPHX1 (0.42) EPHX1ALOX15EPHX2ACHEMMP2
SCHEMBL9803208 0.89 MMP1 (0.36) EPHX1MMP2
SCHEMBL9803201 0.89 MMP1 (0.36) EPHX1MMP2
SCHEMBL7413171 0.80 EPHX1 (0.48) EPHX1ALOX15EPHX2ACHEMMP2
SCHEMBL7413162 0.80 EPHX1 (0.48) EPHX1ALOX15EPHX2ACHEMMP2
SCHEMBL27786739 0.76 EPHX1 (0.41) EPHX1ALOX15EPHX2ACHEMMP2
SCHEMBL11574586 0.75 EPHX1 (0.54) EPHX1EPHX2ZDHHC20ZDHHC2
SCHEMBL7194473 0.75 EPHX1 (0.54) EPHX1EPHX2ZDHHC20ZDHHC2
SCHEMBL11779060 0.74 SMN1; SMN2 (0.47) EPHX1EPHX2ZDHHC20ZDHHC2
SCHEMBL11779067 0.74 SMN1; SMN2 (0.47) EPHX1EPHX2ZDHHC20ZDHHC2

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
EP-0181312-B1 PROCESS FOR PREPARATION OF SUBSTITUTED PYRIDINES Monsanto Company (US) 1991-04-03 EP disclosed