SCHEMBL6252104

SCHEMBL6252104

CCNC(=O)OCCCC/C=C(\C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
ACHE P22303 13/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 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
SCHEMBL6252113 1.00 EPHX2 (0.44) EPHX2ACHECHRNB2CHRNB4CHRNA3
SCHEMBL6250763 0.95 ACHE (0.41) EPHX2ACHECHRNB2CHRNB4CHRNA3
SCHEMBL6250771 0.95 ACHE (0.41) EPHX2ACHECHRNB2CHRNB4CHRNA3
SCHEMBL27220952 0.87 ACHE (0.64) EPHX2ACHE
SCHEMBL6251443 0.84 EPHX1 (0.51) EPHX2ACHECHRNB2CHRNA4
SCHEMBL27220948 0.80 EPHX2 (0.35) EPHX2ACHE
SCHEMBL29185 0.80 ACHE (0.54) EPHX2ACHE
SCHEMBL27220951 0.79 CYP2C9 (0.51) EPHX2
SCHEMBL16673943 0.79 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6253615 0.79 EPHX1 (0.49) EPHX2ACHECHRNB2CHRNA4

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
WO-2005047234-A1 METHOD FOR PRODUCING CARBAMATE GROUP-CONTAINING (METH)ACRYLIC ESTERS Röhm GmbH & Co. KG (DE) 2005-05-26 WO disclosed