SCHEMBL9819378

SCHEMBL9819378

CCC1CCCC/C1=C(/C#N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
KDM4E B2RXH2 1/20 0.30
DPP4 P27487 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
SCHEMBL8199270 0.72 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1HPGDRAB9A
SCHEMBL13155068 0.71 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
Bicarbonate SCHEMBL10361296 0.67 NPC1 (0.49) SMN1; SMN2LMNAALDH1A1NPC1HPGD
SCHEMBL2798343 0.67 MAPT (0.44) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL8872085 0.67
SCHEMBL2798339 0.67 MAPT (0.44) SMN1; SMN2ALDH1A1NPC1HPGDRAB9A
SCHEMBL8871865 0.67
Hydrochloric Acid SCHEMBL8873273 0.66
Acetic Acid SCHEMBL3602202 0.66 NPC1 (0.48) SMN1; SMN2LMNAALDH1A1NPC1HPGD
SCHEMBL3155742 0.66 LMNA (0.37) SMN1; SMN2LMNAALDH1A1KDM4E

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-0358092-B1 2-AZA-4-(ALKOXYCARBONYL)SPIRO-(4,5)DECAN-3-ONE LONZA A.G. (CH) 1991-12-11 EP disclosed
EP-0358092-A1 2-Aza-4-(alkoxycarbonyl)spiro-(4,5)decan-3-one LONZA A.G. (CH) 1990-03-14 EP disclosed