SCHEMBL9334757

SCHEMBL9334757

CCCCCCCC/C=C/CCCCCCC(C)(CC)C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
TERT O14746 3/20 0.49
PTPN1 P18031 3/20 0.49
PPARG P37231 3/20 0.49
PPARD Q03181 3/20 0.49
PPARA Q07869 3/20 0.49
TOP1 P11387 3/20 0.49
BLM P54132 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 2/20 0.49
FABP4 P15090 2/20 0.49
GMNN O75496 2/20 0.49
USP2 O75604 2/20 0.49
CYP1A2 P05177 2/20 0.49
POLB P06746 2/20 0.49
CYP2C9 P11712 2/20 0.49
APEX1 P27695 2/20 0.49
CYP2C19 P33261 2/20 0.49
RECQL P46063 2/20 0.49
DUSP3 P51452 2/20 0.49

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
SCHEMBL9331964 1.00 ACLY (0.53) ACLYTERTPTPN1PPARGPPARD
SCHEMBL8917317 0.90 CES2 (0.40) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL8746360 0.90 CES2 (0.40) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL8746426 0.90 CES2 (0.40) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL8746380 0.90 CES2 (0.40) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL8917782 0.88 CES2 (0.37) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL905460 0.83 ARG1 (0.34) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL5140357 0.79 TERT (0.53) ACLYTERTPTPN1PPARGPPARD
SCHEMBL5140360 0.79 TERT (0.53) ACLYTERTPTPN1PPARGPPARD
SCHEMBL414071 0.78 ACLY (0.61) ACLYTERTPTPN1PPARGPPARD

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
EP-0364517-B1 PREVENTION OF PROSTHESIS CALCIFICATION BIOMEDICAL DESIGN INC (US) 1994-04-06 EP disclosed