SCHEMBL8501680

SCHEMBL8501680

COCCOCCC(C)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA2 P00918 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ASGR1 P07306 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL13566434 1.00 MEN1 (0.34) MEN1KMT2ACA2NOS3NOS1
SCHEMBL13225466 0.87
SCHEMBL29219064 0.83 ALDH1A1 (0.48) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL30103441 0.82 CA2 (0.35) MEN1KMT2ACA2NOS3NOS1
SCHEMBL17085285 0.82 ALDH1A1 (0.38) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL17928483 0.81 ALDH1A1 (0.33) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL18951901 0.81 HSD17B10 (0.41) MEN1KMT2ANOS3NOS1NOS2
SCHEMBL18951853 0.78 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL13225467 0.78 ALDH1A1 (0.40) KMT2AALDH1A1TSHR
SCHEMBL12513571 0.77 MGAM (0.34) MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946559-A2 IMIDAZOPYRIDAZINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-10-06 EP disclosed
WO-1998028299-A2 IMIDAZOPYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-07-02 WO disclosed