SCHEMBL9751667

SCHEMBL9751667

C=CC(=O)N(CC)CCCCCCN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.51
ZDHHC2 Q9UIJ5 1/20 0.51
CHRM2 P08172 1/20 0.38
PAOX Q6QHF9 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
MGLL Q99685 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PLG P00747 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A2 P23975 1/20 0.32
RECQL P46063 1/20 0.32
SLC6A3 Q01959 1/20 0.32
DNM1 Q05193 3/20 0.32

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
SCHEMBL21838758 0.98 ZDHHC20 (0.49) ZDHHC20ZDHHC2CHRM2PAOXCA12
SCHEMBL3357464 0.93 ZDHHC20 (0.46) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL16776745 0.91 ZDHHC20 (0.59) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL16776752 0.91 ZDHHC20 (0.59) ZDHHC20ZDHHC2CA12CA1CA9
Chloromethane SCHEMBL27209132 0.89 ZDHHC20 (0.44) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL20749877 0.89 ZDHHC20 (0.49) ZDHHC20ZDHHC2CHRM2PAOXCA12
SCHEMBL16776772 0.89 ZDHHC20 (0.56) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL27902777 0.86 ZDHHC20 (0.51) ZDHHC20ZDHHC2CHRM2CA12CA1
SCHEMBL6514883 0.85 ZDHHC20 (0.68) ZDHHC20ZDHHC2CA12CA1CA9
SCHEMBL6117478 0.85 ZDHHC20 (0.68) ZDHHC20ZDHHC2CA12CA1CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403605-A4 ELASTASE INHIBITING POLYMERS AND METHODS UNIV KENTUCKY RES FOUND (US) 1991-08-21 EP disclosed
EP-0403605-A1 ELASTASE INHIBITING POLYMERS AND METHODS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-12-27 EP disclosed