SCHEMBL13875427

SCHEMBL13875427

CN(C)c1ccc(C(=O)C(=O)O/C=C\OOCCOC(=O)C(=O)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 7/20 0.38
HPGD P15428 6/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
MAOB P27338 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL13875425 0.92 RAB9A (0.37) RAB9AALDH1A1HPGDMAPTNPC1
SCHEMBL13875424 0.92 RAB9A (0.37) RAB9AALDH1A1HPGDMAPTNPC1
SCHEMBL13875422 0.88 RAB9A (0.42) RAB9AALDH1A1HPGDMAPTNPC1
SCHEMBL13875434 0.83 CES2 (0.46) RAB9AMAPTNPC1SMN1; SMN2HDAC1
SCHEMBL13875428 0.79 RAB9A (0.51) RAB9AALDH1A1HPGDMAPTNPC1
SCHEMBL13875394 0.76 MAPT (0.42) RAB9AALDH1A1HPGDMAPTNPC1
SCHEMBL13875437 0.76 CES2 (0.41) RAB9AMAPTNPC1SMN1; SMN2HDAC1
SCHEMBL14845444 0.76 THRB (0.35) HPGDMAPTSMN1; SMN2HTT
SCHEMBL13875436 0.76 MAPT (0.49) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL14845436 0.75 THRB (0.33) ALDH1A1TSHRHSD17B10

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