SCHEMBL10423555

SCHEMBL10423555

C=C(C)C(=O)NCCCC.CCCNCCC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.55
ACHE P22303 7/20 0.46
EPHX1 P07099 5/20 0.44
MMP2 P08253 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
EPHX2 P34913 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G4A P47712 1/20 0.39

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
SCHEMBL2828095 0.94 PAOX (0.52) PAOXACHEEPHX1MMP2CYP1A2
SCHEMBL2556382 0.92 PAOX (0.50) PAOXACHEEPHX1MMP2CYP1A2
SCHEMBL3279918 0.92 PAOX (0.66) PAOXACHEEPHX1ZDHHC20ZDHHC2
SCHEMBL135641 0.92 PAOX (0.50) PAOXACHEEPHX1MMP2CYP1A2
SCHEMBL3280464 0.92 PAOX (0.55) PAOXACHEEPHX1MMP2CYP1A2
SCHEMBL3278941 0.92 PAOX (0.60) PAOXACHEEPHX1CYP1A2CYP2C19
SCHEMBL27247 0.92 ACHE (0.52) ACHEEPHX1MMP2CYP1A2CYP2C19
SCHEMBL7620717 0.91 PAOX (0.63) PAOXEPHX1EPHX2ZDHHC20ZDHHC2
SCHEMBL7612872 0.91 PAOX (0.63) PAOXEPHX1EPHX2ZDHHC20ZDHHC2
Hydrochloric Acid SCHEMBL15846376 0.90 ACHE (0.50) ACHEEPHX1MMP2CYP1A2CYP2C19

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-4954343-A DRUG DELIVERY, (METH)ACRYLAMIDE WITH AMINO GROUP AS COPOLYMER NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1990-09-04 US disclosed