SCHEMBL9833293

SCHEMBL9833293

CC1CCC(C(C)C)CC1=NO

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9833290 1.00 ALDH1A1 (0.41) ALDH1A1MAPTTSHRNOS3NOS1
SCHEMBL10878989 0.74 ALDH1A1 (0.47) ALDH1A1MAPTTSHR
SCHEMBL10886525 0.74 ALDH1A1 (0.47) ALDH1A1MAPTTSHR
SCHEMBL10886463 0.74 ALDH1A1 (0.47) ALDH1A1MAPTTSHR
SCHEMBL20608621 0.68 CA1 (0.38) NOS3NOS1NOS2
SCHEMBL812088 0.68 CA1 (0.38) NOS3NOS1NOS2
SCHEMBL8691688 0.66
SCHEMBL29864990 0.65
SCHEMBL29827668 0.65
SCHEMBL7900716 0.64

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-0211665-B1 BENZOYL-UREAS HAVING ACARICIDE AND INSECTICIDE ACTIVITY ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1991-06-12 EP disclosed
EP-0211665-A2 Benzoyl-ureas having acaricide and insecticide activity ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1987-02-25 EP disclosed