SCHEMBL9577006

SCHEMBL9577006

O=C(O)/C=C/CCCCCCl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.45
PTPN1 P18031 2/20 0.44
BLM P54132 3/20 0.41
GABRR1 P24046 2/20 0.41
GABRR2 P28476 2/20 0.41
LMNA P02545 2/20 0.41
APEX1 P27695 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
FAAH O00519 1/20 0.37
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 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
SCHEMBL14151095 1.00 TBXAS1 (0.45) TBXAS1PTPN1BLMGABRR1GABRR2
SCHEMBL14151094 1.00 TBXAS1 (0.45) TBXAS1PTPN1BLMGABRR1GABRR2
SCHEMBL9577009 1.00 TBXAS1 (0.45) TBXAS1PTPN1BLMGABRR1GABRR2
SCHEMBL23829915 0.91
SCHEMBL3247704 0.91
SCHEMBL29091291 0.90 PTPN1 (0.58) PTPN1BLMLMNAAPEX1NPSR1
SCHEMBL1815001 0.88 PTPN1 (0.52) TBXAS1PTPN1BLMGABRR1GABRR2
SCHEMBL7856296 0.88 PTPN1 (0.52) TBXAS1PTPN1BLMGABRR1GABRR2
SCHEMBL7856305 0.88 PTPN1 (0.52) TBXAS1PTPN1BLMGABRR1GABRR2
SCHEMBL7856285 0.88 PTPN1 (0.52) TBXAS1PTPN1BLMGABRR1GABRR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379982-B1 Method of preparation of 8-hydroxyoctanoic acid NATTERMANN A & CIE (DE) 1993-12-08 EP disclosed
US-5248798-A METHOD OF PREPARATION OF 8-HYDROXYOCTANOIC ACID NATTERMAN, A. & CIE. GMBH (DE) 1993-09-28 US disclosed
EP-0454743-A1 METHOD OF PREPARATION OF 8-HYDROXYOCTANOIC ACID A. Nattermann & Cie. GmbH (DE) 1991-11-06 EP disclosed
EP-0379982-A1 Method of preparation of 8-hydroxyoctanoic acid A. Nattermann & Cie. GmbH (DE) 1990-08-01 EP disclosed
WO-1990008125-A2 METHOD OF PREPARATION OF 8-HYDROXYOCTANOIC ACID NATTERMANN, A. & CIE. GMBH (DE) 1990-07-26 WO disclosed