SCHEMBL28064057

SCHEMBL28064057

C=C(C)C(=O)NCCCC.CC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.46
EPHX1 P07099 5/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
EPHX2 P34913 1/20 0.42
MMP2 P08253 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G4A P47712 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27247 0.92 ACHE (0.52) ACHEEPHX1ZDHHC20ZDHHC2EPHX2
Ammonia Solution, Strong SCHEMBL11669840 0.90 ACHE (0.50) ACHEEPHX1ZDHHC20ZDHHC2EPHX2
SCHEMBL27834646 0.90 ACHE (0.50) ACHEEPHX1ZDHHC20ZDHHC2EPHX2
Hydrochloric Acid SCHEMBL15846376 0.90 ACHE (0.50) ACHEEPHX1ZDHHC20ZDHHC2EPHX2
Dimethylamine SCHEMBL2501499 0.88 ACHE (0.48) ACHEEPHX1ZDHHC20ZDHHC2EPHX2
SCHEMBL28126934 0.87 ZDHHC20 (0.50) ACHEEPHX1ZDHHC20ZDHHC2EPHX2
SCHEMBL2828095 0.86 PAOX (0.52) ACHEEPHX1ZDHHC20ZDHHC2EPHX2
SCHEMBL253022 0.86 EPHX1 (0.56) ACHEEPHX1ZDHHC20ZDHHC2PLA2G2A
Acrylic Acid SCHEMBL28107076 0.85 ZDHHC20 (0.49) ACHEEPHX1ZDHHC20ZDHHC2EPHX2
SCHEMBL10423555 0.85 PAOX (0.55) ACHEEPHX1ZDHHC20ZDHHC2EPHX2

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
CN-105566560-A Structure-oriented composite initiator system and acrylamide polymer and preparation method and application thereof CHINA PETROLEUM & CHEM CORP 2016-05-11 CN claimed
CN-105566560-A Structure-oriented composite initiator system and acrylamide polymer and preparation method and application thereof CHINA PETROLEUM & CHEM CORP 2016-05-11 CN disclosed