SCHEMBL6558588

SCHEMBL6558588

NCCN[C@H]([C]=O)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.39
LMNA P02545 2/20 0.37
CYP2D6 P10635 2/20 0.37
NFKB1 P19838 2/20 0.37
MAPT P10636 1/20 0.37
FOLH1 Q04609 2/20 0.37
CYP1A2 P05177 3/20 0.36
GABRP O00591 3/20 0.36
GABRD O14764 3/20 0.36
GABRA1 P14867 3/20 0.36
GABRB1 P18505 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
GABRA4 P48169 3/20 0.36
GABRE P78334 3/20 0.36
GABRA6 Q16445 3/20 0.36

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
SCHEMBL29213587 0.79 GGT1 (0.34) GGT1
SCHEMBL875234 0.79 TET2 (0.37) LMNACYP2D6NFKB1MAPTFOLH1
SCHEMBL2199118 0.77 AKR1B1 (0.44) TSHRKMT2AHDAC11
SCHEMBL6312846 0.77 GABRP (0.39) LMNACYP2D6NFKB1MAPTFOLH1
SCHEMBL6312150 0.76 GPR84 (0.46) TSHRKMT2AHDAC11
SCHEMBL3940840 0.74 CTSC (0.41) LMNACYP2D6NFKB1MAPTFOLH1
SCHEMBL7357915 0.74 KEAP1 (0.49) LMNACYP2D6MAPTCYP1A2HDAC3
SCHEMBL4461170 0.73 LMNA (0.39) LMNACYP2D6NFKB1MAPTFOLH1
SCHEMBL7447970 0.73 GGT1 (0.62) GGT1FOLH1CYP1A2GRM8GRM6
SCHEMBL28078777 0.73 GGT1 (0.62) GGT1FOLH1CYP1A2GRM8GRM6

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
US-6790623-B2 INCREASING DISCRIMINATING CAPABILITY OF HYBRIDIZATION ASSAYS VIA COMBINATION OF LABELLED PRIMERS WHICH REPLICATE ONE STRAND OF A NUCLEIC ACID HAVING COMPLEMENTARY CAPTURE PROBE ROCHE DIAGNOSTICS GMBH (DE) 2004-09-14 US disclosed
US-20030152937-A1 DNA detection by means of a strand reassociation complex ROCHE DIAGNOSTICS GMBH 2003-08-14 US disclosed
US-6410235-B1 DNA detection by means of a strand reassociation complex ROCHE DIAGNOSTICS GMBH (DE) 2002-06-25 US disclosed