SCHEMBL13875428

SCHEMBL13875428

CN(C)c1ccc(C(=O)C(=O)OCCOCCOCCOC(=O)C(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
HPGD P15428 7/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 6/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APP P05067 2/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL12018342 0.84 ALDH1A1 (0.58) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL12380037 0.83 ALDH1A1 (0.60) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL2124043 0.83 RAB9A (0.55) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL12380026 0.83 ALDH1A1 (0.60) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL13875422 0.80 RAB9A (0.42) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL13875427 0.79 RAB9A (0.41) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL14845421 0.78 RAB9A (0.62) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL13875430 0.78 RAB9A (0.43) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL18579629 0.78 ALDH1A1 (0.56) RAB9AHPGDALDH1A1MAPTKDM4E
SCHEMBL28098576 0.78 ALDH1A1 (0.55) RAB9AHPGDALDH1A1MAPTKDM4E

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
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed