SCHEMBL2606300

SCHEMBL2606300

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
ALDH1A1 P00352 11/20 0.59
HPGD P15428 5/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 3/20 0.59
HSD17B10 Q99714 2/20 0.59
GAA P10253 2/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 6/20 0.56
SCN1A P35498 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN3A Q9NY46 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.49
CYP3A4 P08684 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL14206324 0.92 RAB9A (0.58) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL23630890 0.89 RAB9A (0.61) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL1506126 0.88 ALDH1A1 (0.65) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL16231260 0.84 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL12380037 0.83 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL12998144 0.83 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL12380026 0.83 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL147844 0.83 ALDH1A1 (0.66) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL5491979 0.83 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL16231261 0.81 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1HPGDKDM4E

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-2444429-A1 Led curable compositions Agfa-Gevaert (BE) 2012-04-25 EP disclosed