SCHEMBL5017222

SCHEMBL5017222

CCCN1CCCC1.CCCN1CCCC1.CCCN1CCCC1.CCCN1CCCC1.O=C(O)F.O=C(O)F.O=C(O)F.O=C(O)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 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
SCHEMBL5017224 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2MAPK1ALDH1A1KDM4E
Acetic Acid SCHEMBL15820185 0.88 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2MAPK1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL4246320 0.85 ALDH1A1 (0.42) SMN1; SMN2CYP1A2MAPK1ALDH1A1KDM4E
Carbamic Acid SCHEMBL27836134 0.84 L3MBTL1 (0.57) SMN1; SMN2CYP1A2MAPK1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL2267524 0.84 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2MAPK1ALDH1A1KDM4E
SCHEMBL31273801 0.83 HRH3 (0.50) CYP1A2ALDH1A1MAPTPOLBDRD2
SCHEMBL28826836 0.83 HRH3 (0.50) CYP1A2ALDH1A1MAPTPOLBDRD2
SCHEMBL3392365 0.83
SCHEMBL60012 0.83
SCHEMBL27855589 0.81 ALDH1A1 (0.50) SMN1; SMN2CYP1A2MAPK1ALDH1A1KDM4E

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-20080137265-A1 High voltage non-toxic electrolytes for ultracapacitors VENKATESWARAN SAGAR N 2008-06-12 US disclosed