SCHEMBL9718696

SCHEMBL9718696

NCCCNCCCNCCCNCCNCCCNCCCN

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 2/20 0.93
CA12 O43570 5/20 0.80
CA6 P23280 5/20 0.80
CA7 P43166 5/20 0.80
CA9 Q16790 5/20 0.80
CA14 Q9ULX7 5/20 0.80
CA5B Q9Y2D0 5/20 0.80
CA2 P00918 4/20 0.80
CA4 P22748 4/20 0.80
CA5A P35218 4/20 0.80
ALOX15 P16050 3/20 0.80
F13A1 P00488 2/20 0.80
CYP1A2 P05177 2/20 0.80
THPO P40225 2/20 0.80
MEN1 O00255 2/20 0.80
RECQL P46063 2/20 0.80
KMT2A Q03164 2/20 0.80
CYP2C19 P33261 1/20 0.80
HSD17B10 Q99714 1/20 0.80
CA3 P07451 3/20 0.75

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
SCHEMBL9718728 1.00 CASP2 (0.93) CASP2CA12CA6CA7CA9
SCHEMBL9302439 1.00 CASP2 (0.93) CASP2CA12CA6CA7CA9
Thermine SCHEMBL8837088 1.00 CASP2 (0.93) CASP2CA12CA6CA7CA9
SCHEMBL19179132 1.00 CASP2 (0.93) CASP2CA12CA6CA7CA9
SCHEMBL11365907 0.97 CASP2 (0.87) CASP2CA12CA6CA7CA9
SCHEMBL19257489 0.97 CASP2 (0.87) CASP2CA12CA6CA7CA9
SCHEMBL869794 0.96 CA12 (0.86) CASP2CA12CA6CA7CA9
SCHEMBL561809 0.96 CA12 (0.86) CASP2CA12CA6CA7CA9
SCHEMBL3062038 0.96 CASP2 (1.00) CASP2CA12CA6CA7CA9
SCHEMBL3159043 0.96 CA12 (0.86) CASP2CA12CA6CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162526-A Dispersants, fuel additives EXXON CHEMICAL PATENTS INC. (US) 1992-11-10 US disclosed
EP-0113582-B1 MACROCYCLIC POLYAMINE AND POLYCYCLIC POLYAMINE MULTIFUNCTIONAL LUBRICATING OIL ADDITIVES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-10-16 EP disclosed
US-4880923-A CROWN COMPOUNDS EXXON RESEARCH & ENGINEERING COMPANY (US) 1989-11-14 US disclosed
US-4637886-A Macrocyclic polyamine and polycyclic polyamine multifunctional lubricating oil additives EXXON RESEARCH & ENGINEERING CO. (US) 1987-01-20 US disclosed