SCHEMBL9505371

SCHEMBL9505371

C=CCC1CCNC(=O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
FAAH O00519 1/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
PRSS1 P07477 2/20 0.31
CTRC Q99895 2/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL530980 0.80
SCHEMBL13378344 0.80
SCHEMBL3899069 0.73 ALDH1A1 (0.33) ALDH1A1FAAHNOS1NOS2GAA
SCHEMBL11569624 0.72
SCHEMBL11780768 0.69 FAAH (0.36) ALDH1A1FAAHNOS1NOS2GAA
SCHEMBL2043231 0.69 NOS1 (0.40) ALDH1A1FAAHNOS1NOS2GAA
SCHEMBL5182489 0.68 CCR2 (0.43) ALDH1A1FAAHNOS1NOS2GAA
SCHEMBL6402909 0.68 FAAH (0.40) ALDH1A1FAAHNOS1NOS2GAA
SCHEMBL4953822 0.67 CCR2 (0.43) ALDH1A1NOS1NOS2GAAHPGD
SCHEMBL6979497 0.67 CCR2 (0.43) ALDH1A1NOS1NOS2GAAHPGD

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-0552360-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-07-28 EP disclosed
WO-1993003825-A1 A COMPOSITION AND METHOD FOR SIMULTANEOUS ABSORPTION OF SULFUR DIOXIDE AND NITRIC OXIDE THE DOW CHEMICAL COMPANY (US) 1993-03-04 WO disclosed