SCHEMBL13875422

SCHEMBL13875422

CN(C)c1ccc(C(=O)C(=O)OCCOO/C=C\O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
HPGD P15428 7/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.36
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
KMT2A Q03164 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL13875427 0.88 RAB9A (0.41) RAB9AHPGDALDH1A1MAPTNPC1
SCHEMBL13875424 0.83 RAB9A (0.37) RAB9AHPGDALDH1A1MAPTNPC1
SCHEMBL13875425 0.83 RAB9A (0.37) RAB9AHPGDALDH1A1MAPTNPC1
SCHEMBL13875433 0.83 CES2 (0.47) RAB9AMAPTNPC1SMN1; SMN2HDAC1
SCHEMBL13875382 0.82 ALDH1A1 (0.39) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL13875442 0.82 PLK1 (0.36) RAB9AALDH1A1MAPTNPC1KDM4E
SCHEMBL13875428 0.80 RAB9A (0.51) RAB9AHPGDALDH1A1MAPTNPC1
SCHEMBL13875414 0.77 TSHR (0.44) RAB9AALDH1A1MAPTGAAMAPK1
SCHEMBL12018342 0.75 ALDH1A1 (0.58) RAB9AHPGDALDH1A1MAPTNPC1
SCHEMBL2124043 0.74 RAB9A (0.55) RAB9AHPGDALDH1A1MAPTNPC1

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-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed