Malonic Acid Diethyl Ester

Malonic Acid Diethyl Ester

SCHEMBL9840328

CCOC(=O)CC(=O)OCC.CN(C)c1ccc(C(=CCC=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
NPC1 O15118 6/20 0.48
MAPT P10636 5/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PSMD14 O00487 1/20 0.44
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9839509 0.86 ALDH1A1 (0.47) ALDH1A1NPC1MAPTRAB9AMAPK1
SCHEMBL9839743 0.86 ALDH1A1 (0.54) ALDH1A1NPC1MAPTRAB9AMAPK1
SCHEMBL5094824 0.81 ALDH1A1 (0.52) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL9840309 0.81 ALDH1A1 (0.45) ALDH1A1NPC1MAPTRAB9AMAPK1
SCHEMBL4897408 0.80 ALDH1A1 (0.52) ALDH1A1NPC1MAPTRAB9AMAPK1
SCHEMBL9750091 0.80 ALDH1A1 (0.50) ALDH1A1NPC1MAPTRAB9AMAPK1
SCHEMBL7411869 0.78 ALDH1A1 (0.49) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL334133 0.77 ALDH1A1 (0.46) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL334134 0.77 ALDH1A1 (0.46) ALDH1A1NPC1MAPTRAB9AL3MBTL1
Dibenzoylmethane SCHEMBL9838231 0.75 RAB9A (0.56) ALDH1A1NPC1MAPTRAB9AL3MBTL1

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-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed