SCHEMBL21782585

SCHEMBL21782585

COC(=O)C(I)CCCCN

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 5/20 0.43
GSR P00390 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
EPOR P19235 2/20 0.37
ANPEP P15144 1/20 0.37
PAOX Q6QHF9 2/20 0.36
CYP1A2 P05177 1/20 0.36
FOLH1 Q04609 1/20 0.36

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
SCHEMBL2865718 0.91 ZDHHC7 (0.45) CPB2ZDHHC7CA1CA2
SCHEMBL6760312 0.87 CA1 (0.43) ZDHHC7CA1CA2FOLH1
SCHEMBL10796927 0.83 ZDHHC7 (0.58) ZDHHC7CA1CA2
SCHEMBL7960205 0.83 ZDHHC7 (0.40) ZDHHC7CA1CA2
SCHEMBL7970973 0.83 CA1 (0.41) ZDHHC7CA1CA2
SCHEMBL2859567 0.82 SMN1; SMN2 (0.42) ZDHHC7CA1CA2FOLH1
SCHEMBL3813654 0.82 ZDHHC7 (0.61) ZDHHC7CA1CA2
SCHEMBL27962387 0.82 ZDHHC7 (0.61) ZDHHC7CA1CA2
SCHEMBL27962396 0.82 ZDHHC7 (0.61) ZDHHC7CA1CA2
SCHEMBL27962345 0.82 ZDHHC7 (0.61) ZDHHC7CA1CA2

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-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 EP disclosed