SCHEMBL10973802

SCHEMBL10973802

C=CCC1CCCC(=O)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.39
NOS2 P35228 4/20 0.39
FAAH O00519 1/20 0.36
NOS3 P29474 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PRSS1 P07477 2/20 0.33
CTRC Q99895 2/20 0.33
F2 P00734 1/20 0.33
CYP19A1 P11511 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 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
SCHEMBL370193 0.89 FAAH (0.38) NOS1NOS2FAAHNOS3MEN1
SCHEMBL3942028 0.84
SCHEMBL29886436 0.84
SCHEMBL15423555 0.84
SCHEMBL2051321 0.84
SCHEMBL528992 0.79 NOS1 (0.46) NOS1NOS2FAAHNOS3MEN1
SCHEMBL21297485 0.79 NOS1 (0.46) NOS1NOS2FAAHNOS3MEN1
SCHEMBL7157465 0.77 NOS1 (0.44) NOS1NOS2FAAHNOS3MEN1
SCHEMBL5064686 0.77 NOS1 (0.44) NOS1NOS2FAAHNOS3MEN1
SCHEMBL10502755 0.77 NOS1 (0.44) NOS1NOS2FAAHNOS3MEN1

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
US-4546104-A Pyrazolopyridine cycloalkanones and process for their preparation ICI AMERICAS INC. (US) 1985-10-08 US disclosed
EP-0141608-A2 Pyrazolopyridine cycloalkanone derivatives ICI AMERICAS INC. (US) 1985-05-15 EP disclosed