SCHEMBL4636583

SCHEMBL4636583

CCCCCCN(CC)c1ccccc1NCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.40
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CNR2 P34972 3/20 0.36
ICMT O60725 1/20 0.35
ALB P02768 1/20 0.35
NPC1 O15118 1/20 0.33
JAK2 O60674 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
PLK1 P53350 1/20 0.33
P2RX7 Q99572 1/20 0.33
CETP P11597 1/20 0.33
IDO1 P14902 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL9004386 0.86 KCNH2 (0.41) KCNH2ALDH1A1TP53CNR2ICMT
SCHEMBL103250 0.83 IDO1 (0.40) CNR2NPC1RAB9AIDO1L3MBTL1
SCHEMBL6263533 0.81 L3MBTL1 (0.45) CNR2L3MBTL1SOAT1
SCHEMBL24596288 0.81 ALDH1A1 (0.35) ALDH1A1IDO1
SCHEMBL25278104 0.77 ALDH1A1 (0.54) KCNH2ALDH1A1TP53CNR2NPC1
SCHEMBL25276716 0.77 ALDH1A1 (0.54) KCNH2ALDH1A1TP53CNR2NPC1
SCHEMBL25277231 0.77 ALDH1A1 (0.54) KCNH2ALDH1A1TP53CNR2NPC1
SCHEMBL25230838 0.77 ALDH1A1 (0.54) KCNH2ALDH1A1TP53CNR2NPC1
SCHEMBL25227940 0.77 ALDH1A1 (0.54) KCNH2ALDH1A1TP53CNR2NPC1
SCHEMBL6879939 0.76 KCNH2 (0.42) KCNH2ALDH1A1TP53CNR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934313-A1 COMPOSITION AND METHOD FOR ENHANCING THE STABILITY OF JET FUELS Nalco Company (US) 2008-06-25 EP disclosed
US-20070094918-A1 Composition and method for enhancing the stability of jet fuels NALCO ENERGY SERVICES, L.P. 2007-05-03 US disclosed
WO-2007042887-A1 COMPOSITION AND METHOD FOR ENHANCING THE STABILITY OF JET FUELS NALCO COMPANY (US) 2007-04-19 WO disclosed