SCHEMBL12018342

SCHEMBL12018342

CCCCOC(=O)C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 5/20 0.58
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 3/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MCL1 Q07820 2/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 2/20 0.50
GAA P10253 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL357704 0.84 LMNA (0.68) ALDH1A1MAPTRAB9AKDM4EHPGD
SCHEMBL13875428 0.84 RAB9A (0.51) ALDH1A1MAPTRAB9AKDM4EHPGD
SCHEMBL2124043 0.83 RAB9A (0.55) ALDH1A1MAPTRAB9AKDM4EHPGD
SCHEMBL1942678 0.82 TSHR (0.51) MAPTRAB9AHPGDMAPK1SMN1; SMN2
SCHEMBL11048800 0.82 TSHR (0.58) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL13875430 0.81 RAB9A (0.43) ALDH1A1MAPTRAB9AKDM4EHPGD
SCHEMBL9095382 0.80 CES2 (0.56) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
Padimate A SCHEMBL15372 0.79 ALDH1A1 (0.65) ALDH1A1MAPTRAB9AKDM4EHPGD
SCHEMBL7536250 0.78 ALDH1A1 (0.68) ALDH1A1MAPTRAB9AKDM4EHPGD
SCHEMBL10885904 0.78 ALDH1A1 (0.68) ALDH1A1MAPTRAB9AKDM4EHPGD

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
EP-1836002-B1 PROCESS FOR THE PRODUCTION OF STRONGLY ADHERENT COATINGS BASF SE (DE) 2012-08-29 EP disclosed