SCHEMBL3686528

SCHEMBL3686528

CCCCNC(=O)NCC#CI

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.59
EPHX2 P34913 4/20 0.47
POLB P06746 1/20 0.42
MMP2 P08253 2/20 0.42
MMP1 P03956 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL28407900 0.84 EPHX1 (0.63) EPHX1EPHX2POLBMMP2MMP1
SCHEMBL320112 0.81 EPHX1 (0.85) EPHX1MMP2MMP1ACHE
SCHEMBL30786047 0.79 EPHX1 (0.90) EPHX1EPHX2MMP2MMP1ACHE
SCHEMBL28417155 0.78 EPHX1 (0.69) EPHX1EPHX2
SCHEMBL28215302 0.78 EPHX1 (0.65) EPHX1EPHX2POLBMMP2MMP1
SCHEMBL28409817 0.77 EPHX1 (0.73) EPHX1EPHX2
SCHEMBL17133784 0.77 EPHX1 (0.95) EPHX1EPHX2
SCHEMBL9323761 0.77 EPHX1 (0.82) EPHX1EPHX2MMP2MMP1ACHE
SCHEMBL21535964 0.76 EPHX1 (0.63) EPHX1EPHX2POLBMMP2MMP1
SCHEMBL4687509 0.75 EPHX1 (0.75) EPHX1EPHX2MMP2MMP1ACHE

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-1820397-B1 Microbicidal composition ROHM & HAAS (US) 2010-04-14 EP disclosed