SCHEMBL5148775

SCHEMBL5148775

CC(C)C(OC(=O)c1cccnc1)OC(=O)C(N)C1(CC(=O)O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 5/20 0.38
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F11 P03951 1/20 0.37
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
TBXAS1 P24557 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
SCHEMBL26824 0.82 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL27622479 0.80 CYP2D6 (0.40) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL5147427 0.79 USP2 (0.35) ALDH1A1LMNA
SCHEMBL6885636 0.79 USP2 (0.35) ALDH1A1LMNA
SCHEMBL25013 0.78 LMNA (0.41) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL27641459 0.77 APOBEC3A (0.38) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL5147250 0.77 SMN1; SMN2 (0.33) ALDH1A1MAPTLMNA
SCHEMBL4337366 0.76 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL5145781 0.74 USP2 (0.32) ALDH1A1LMNA
SCHEMBL27641457 0.74 ADRB2 (0.43) ALDH1A1KMT2ALMNAPOLBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569895-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2007-07-11 EP disclosed
EP-1569895-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-09-07 EP disclosed
WO-2004052844-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed