SCHEMBL20105240

SCHEMBL20105240

C=C(CC)N(CCCC)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL19091683 0.80 EPHX2 (0.35) EPHX2ALDH1A1ALDH2CA12CA1
SCHEMBL12225879 0.76 EPHX2 (0.37) EPHX2ALDH1A1ALDH2CA12CA1
SCHEMBL498397 0.74 EPHX2 (0.41) EPHX2ALDH1A1CA12CA1CA9
SCHEMBL31093174 0.74 EPHX2 (0.47) EPHX2ALDH1A1CA12CA1CA9
SCHEMBL28271937 0.74 EPHX2 (0.38) EPHX2CA12CA1CA9
SCHEMBL25761210 0.72 CA12 (0.44) ALDH1A1ALDH2CA12CA1CA9
SCHEMBL1758802 0.71 EPHX2 (0.45) EPHX2ALDH1A1CA12CA1CA9
SCHEMBL498398 0.71 EPHX2 (0.41) EPHX2ALDH1A1CA12CA1CA9
SCHEMBL21255611 0.71 EPHX2 (0.31) EPHX2
SCHEMBL5206150 0.71 EPHX2 (0.45) EPHX2ALDH1A1CA12CA1CA9

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
US-20180117942-A1 PRINTING PLATE PRECURSOR, PLANOGRAPHIC PRINTING PLATE, BLANK PLATE FOR PRINTING, AND LAMINATE THEREOF FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed