SCHEMBL22804512

SCHEMBL22804512

CCCCNC(C=C(C)C(N)=O)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
NOD1 Q9Y239 1/20 0.32
EPHX1 P07099 3/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
FAAH O00519 2/20 0.30
DPP7 Q9UHL4 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL432889 0.85 ALOX15 (0.40) ALOX15CA2NOD1EPHX1ADH1B
SCHEMBL4860591 0.82 KDM4E (0.33) KDM4E
SCHEMBL2053892 0.77 KDM4E (0.34) KDM4E
SCHEMBL9058098 0.77 FAAH (0.30) FAAHKDM4E
Hydrochloric Acid SCHEMBL28093974 0.75 KDM4E (0.33) KDM4E
SCHEMBL29286896 0.75 KDM4E (0.33) KDM4E
SCHEMBL8730019 0.74 KDM4E (0.33) KDM4E
SCHEMBL11132684 0.73 ALOX15 (0.39) ALOX15CA2NOD1EPHX1HDAC3
SCHEMBL11354136 0.73 LCK (0.41) CA1CA2FAAHDPP7LCK
SCHEMBL7134731 0.72 KDM4E (0.32) KDM4E

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-3987080-A1 ANTIMICROBIAL AND/OR ANTIVIRAL POLYMER SURFACES Molecular Plasma Group SA (LU) 2022-04-27 EP disclosed
WO-2020254497-A1 ANTIMICROBIAL AND/OR ANTIVIRAL POLYMER SURFACES WALLQUIST OLOF (CH) 2020-12-24 WO disclosed