SCHEMBL12814701

SCHEMBL12814701

CCC(CC)NCCCN.CNCCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CNR1 P21554 1/20 0.38
ADRA1A P35348 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ABCC3 O15438 1/20 0.37
EPHX1 P07099 1/20 0.36
CASP2 P42575 2/20 0.33
CA12 O43570 2/20 0.33
F13A1 P00488 2/20 0.33
CA2 P00918 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALOX15 P16050 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
THPO P40225 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL26206 0.91 LMNA (0.44) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21164236 0.84 LMNA (0.39) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL15201448 0.84 LMNA (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21799879 0.82 DNM1 (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21799786 0.82 DNM1 (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21799988 0.82 DNM1 (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21799761 0.82 DNM1 (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21799534 0.82 DNM1 (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21799806 0.82 DNM1 (0.42) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL21799516 0.82 DNM1 (0.42) LMNATDP1CNR1ADRA1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691431-A1 USE OF AN AQUEOUS PREPARATION FOR THE COATING OF WOOD SURFACES TO ACHIEVE A NATURAL-TOUCH EFFECT Bayer Intellectual Property GmbH (DE) 2014-02-05 EP disclosed
WO-2012130765-A1 USE OF AN AQUEOUS PREPARATION FOR THE COATING OF WOOD SURFACES TO ACHIEVE A NATURAL-TOUCH EFFECT BAYER MATERIALSCIENCE AG (DE) 2012-10-04 WO disclosed