SCHEMBL6884986

SCHEMBL6884986

NC(C(=O)OC(Cc1ccccc1)OC(=O)c1ccccc1)C1(CC(=O)O)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MDM2 Q00987 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SRR Q9GZT4 2/20 0.35
MEN1 O00255 1/20 0.34
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 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
SCHEMBL4756193 0.87 LMNA (0.36) TP53TSHRCYP2D6KMT2ASLC6A2
SCHEMBL25013 0.84 LMNA (0.41) TP53TSHRCYP2D6KMT2ASLC6A2
SCHEMBL4756232 0.83 TP53 (0.38) TP53TSHRCYP2D6KMT2ASLC6A2
SCHEMBL27641457 0.80 ADRB2 (0.43) TSHRCYP2D6KMT2ASLC6A2SLC6A3
SCHEMBL5147376 0.77 CYP2D6 (0.36) TP53TSHRCYP2D6KMT2ASLC6A2
SCHEMBL27055 0.77 CYP2D6 (0.40) TP53TSHRCYP2D6KMT2ASLC6A2
SCHEMBL27622479 0.73 CYP2D6 (0.40) TSHRCYP2D6KMT2ASLC6A2SLC6A3
SCHEMBL27910096 0.73 NPSR1 (0.43) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL1563323 0.73 APOBEC3A (0.39) TSHRKMT2ALMNAMEN1POLB
SCHEMBL4700964 0.73 LMNA (0.39) TP53TSHRCYP2D6KMT2ASLC6A2

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-1404324-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2004-12-22 EP disclosed
EP-1404324-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2004-04-07 EP disclosed
WO-2002100347-A2 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2002-12-19 WO disclosed