SCHEMBL5613995

SCHEMBL5613995

NC(N)(C=CC(=O)O)CCCCCC=CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.42
TBXAS1 P24557 4/20 0.39
PTPN1 P18031 2/20 0.38
BLM P54132 4/20 0.38
APEX1 P27695 3/20 0.38
GABRR1 P24046 2/20 0.38
GABRR2 P28476 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MAPT P10636 2/20 0.33
ABCC4 O15439 1/20 0.33
GMNN O75496 2/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL9496952 0.80 ACLY (0.43) ACLYTBXAS1PTPN1BLMAPEX1
SCHEMBL9498842 0.80 ACLY (0.43) ACLYTBXAS1PTPN1BLMAPEX1
SCHEMBL1566718 0.80 ACLY (0.43) ACLYTBXAS1PTPN1BLMAPEX1
SCHEMBL10626186 0.80 ACLY (0.43) ACLYTBXAS1PTPN1BLMAPEX1
Fluoride SCHEMBL6910839 0.79 ACLY (0.42) ACLYTBXAS1PTPN1BLMAPEX1
SCHEMBL7856919 0.78 PTPN1 (0.52) ACLYTBXAS1PTPN1BLMAPEX1
SCHEMBL1815001 0.78 PTPN1 (0.52) ACLYTBXAS1PTPN1BLMAPEX1
SCHEMBL7856285 0.78 PTPN1 (0.52) ACLYTBXAS1PTPN1BLMAPEX1
SCHEMBL7856305 0.78 PTPN1 (0.52) ACLYTBXAS1PTPN1BLMAPEX1
SCHEMBL7856296 0.78 PTPN1 (0.52) ACLYTBXAS1PTPN1BLMAPEX1

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
WO-2007063018-A1 MOLDING COMPOSITIONS AND FILMS COMPOSED OF POLYAMIDE COMPRISING CROSSLINKED POLYMER BEADS OBTAINABLE THEREFROM BASF AKTIENGESELLSCHAFT (DE) 2007-06-07 WO disclosed