SCHEMBL3279918

SCHEMBL3279918

C=C(C)C(=O)NCCCCNCCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.66
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
EPHX1 P07099 6/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLA2G2A P14555 1/20 0.39
CASP2 P42575 1/20 0.37
ACHE P22303 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37

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
SCHEMBL7620717 0.98 PAOX (0.63) PAOXDRD2DRD4DRD3EPHX1
SCHEMBL7612872 0.98 PAOX (0.63) PAOXDRD2DRD4DRD3EPHX1
SCHEMBL3278941 0.96 PAOX (0.60) PAOXDRD2DRD4DRD3EPHX1
SCHEMBL3280464 0.92 PAOX (0.55) PAOXEPHX1KDM4EMAPK1HIF1A
SCHEMBL3279963 0.92 PAOX (0.55) PAOXEPHX1ALDH1A1TSHRZDHHC20
SCHEMBL10423555 0.92 PAOX (0.55) PAOXEPHX1ZDHHC20ZDHHC2PLA2G2A
SCHEMBL3280866 0.91 PAOX (0.53) PAOXEPHX1ALDH1A1TSHRZDHHC20
SCHEMBL3280463 0.91 EPHX1 (0.53) PAOXEPHX1ALDH1A1TSHRZDHHC20
Dipentylamine SCHEMBL8604792 0.91 PAOX (0.53) PAOXEPHX1ALDH1A1TSHRZDHHC20
SCHEMBL2828095 0.90 PAOX (0.52) PAOXEPHX1KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed
US-6423487-B2 ACYCLIC OR HETEROCYCLIC AMINOALKYL (METH)ACRYLAMIDE POLYMERS OR POLYMERS OF (METH)ACRYLATED ALKYLENE OXIDE ADDUCTS OF PIPERAZINES OR MORPHOLINE AS VISCOSITY ENHANCERS FUJI PHOTO FILM CO., LTD. (JP) 2002-07-23 US disclosed
US-20020015927-A1 Thermally processed image recording material FUJIFILM CORPORATION (JP) 2002-02-07 US disclosed