SCHEMBL8957956

SCHEMBL8957956

CC1(CC2CCCCC2)NC(=O)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ADAMTS5 Q9UNA0 5/20 0.34
MMP13 P45452 5/20 0.34
MMP12 P39900 4/20 0.34
MMP14 P50281 2/20 0.34
ADAM17 P78536 2/20 0.33

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
SCHEMBL15974082 0.83 SMN1; SMN2 (0.40) HSD11B1SMN1; SMN2NPSR1TDP1ALDH1A1
SCHEMBL15973472 0.81 SMN1; SMN2 (0.41) HSD11B1SMN1; SMN2NPSR1TDP1GAA
SCHEMBL4546207 0.73 TSHR (0.39) GAAHPGDMAPK1ALDH1A1ADAMTS5
SCHEMBL7567717 0.69 BACE1 (0.40) HSD11B1HPGD
SCHEMBL8958230 0.68 GAA (0.36) HSD11B1SMN1; SMN2TDP1GAAHPGD
SCHEMBL15974332 0.68 GAA (0.36) HSD11B1SMN1; SMN2TDP1GAAHPGD
SCHEMBL542612 0.68 LMNA (0.48) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP13
SCHEMBL13209004 0.68 LMNA (0.48) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP13
SCHEMBL13209012 0.68 LMNA (0.48) SMN1; SMN2NPSR1ALDH1A1ADAMTS5MMP13
SCHEMBL14923368 0.67 HSD11B1 (0.35) HSD11B1

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-5559233-A 3-/P-PHENYLBENZYL/IMIDAZOLONES AND PYRIMIDONES SANOFI (FR) 1996-09-24 US disclosed
US-5352788-A Angiotensin antagonist ELF SANOFI (FR) 1994-10-04 US disclosed
US-5270317-A N-substituted heterocyclic derivatives, their preparation and the pharmaceutical compositions in which they are present ELF SANOFI (FR) 1993-12-14 US disclosed