SCHEMBL7741589

SCHEMBL7741589

C=CC(=O)NCCC[N+](C)(C)CCCP(=O)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CBLB Q13191 6/20 0.36
PPARD Q03181 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
BTK Q06187 2/20 0.33
GAA P10253 1/20 0.32
TGM2 P21980 1/20 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
SCHEMBL491502 0.87 ZDHHC20 (0.53) ZDHHC20ZDHHC2CA12CA1CA2
SCHEMBL6575967 0.87 ZDHHC20 (0.42) ZDHHC20ZDHHC2KMT2AATMCA12
SCHEMBL3343056 0.81 ZDHHC20 (0.47) ZDHHC20ZDHHC2KMT2ACA12CA1
SCHEMBL31509638 0.81 ZDHHC20 (0.58) ZDHHC20ZDHHC2KMT2AATMCBLB
SCHEMBL14652902 0.80 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMCBLB
SCHEMBL6578179 0.80 ZDHHC20 (0.44) ZDHHC20ZDHHC2KMT2AATMCBLB
SCHEMBL15830115 0.78 ZDHHC20 (0.66) ZDHHC20ZDHHC2KMT2AATMCBLB
SCHEMBL2586583 0.78 ZDHHC20 (0.61) ZDHHC20ZDHHC2KMT2AATMCBLB
SCHEMBL18327376 0.78 ZDHHC20 (0.59) ZDHHC20ZDHHC2KMT2AATMCBLB
SCHEMBL18327384 0.78 ZDHHC20 (0.59) ZDHHC20ZDHHC2KMT2AATMCBLB

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-6410671-B1 WATER SOLUBLE COPOLYMER CONTAINING ACRYLAMIDE AND QUATERNARY AMMONIUM COMPOUND INSTITUTE FRANCAIS DU PETROLE (FR) 2002-06-25 US disclosed