SCHEMBL7375832

SCHEMBL7375832

[CH2]C(O)COCCCCO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
HTT P42858 2/20 0.35
GAA P10253 1/20 0.34
SPHK1 Q9NYA1 1/20 0.32
LOX P28300 1/20 0.32
AOC3 Q16853 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7373107 0.93
SCHEMBL10341683 0.90 USP2 (0.41) USP2HTTSPHK1LPAR5HSD17B10
SCHEMBL2583803 0.87 USP2 (0.45) USP2HTTSPHK1MEN1THRB
SCHEMBL10746438 0.85 USP2 (0.37) USP2HTTSPHK1LPAR5HSD17B10
SCHEMBL7375154 0.82
SCHEMBL10535518 0.82 USP2 (0.62) USP2HTTSPHK1MEN1KMT2A
Ethylene Glycol SCHEMBL27966006 0.80 TSHR (0.45) USP2HTTMEN1THRBKMT2A
SCHEMBL10938844 0.79 USP2 (0.44) USP2HTTSPHK1THRBLPAR5
SCHEMBL10765807 0.79 USP2 (0.39) USP2HTTSPHK1LPAR5HSD17B10
SCHEMBL415657 0.79 USP2 (0.59) USP2HTTSPHK1MEN1THRB

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-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed
EP-0778829-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1997-06-18 EP disclosed
WO-1996006832-A1 NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-03-07 WO disclosed