SCHEMBL9813616

SCHEMBL9813616

CNC(=O)Oc1cccc2c1C=CCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.47
PGR P06401 1/20 0.47
GAA P10253 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACHE P22303 9/20 0.43
BCHE P06276 3/20 0.39
LIPE Q05469 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8729417 0.75 ACHE (0.45) ACHEBCHE
SCHEMBL5751732 0.75 TRPA1 (0.48) LMNAALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL4801967 0.72 ALDH1A1 (0.44) ALDH1A1GAAMAPK1SMN1; SMN2KDM4E
SCHEMBL9813634 0.72 LMNA (0.51) LMNAALDH1A1PGRGAAPTGS1
SCHEMBL1872704 0.72 LMNA (0.51) LMNAALDH1A1PGRGAAPTGS1
SCHEMBL5753321 0.70 ALDH1A1 (0.40) ALDH1A1MAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL24725708 0.69 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL18602231 0.69 NPC1 (0.47) ALDH1A1GAAMAPK1HSD17B10SMN1; SMN2
SCHEMBL12969366 0.68 MAPT (0.31) ALDH1A1MAPK1HSD17B10SMN1; SMN2KDM4E
SCHEMBL8764502 0.68 MAPK1 (0.42) LMNAALDH1A1GAAPTGS1MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178908-B1 CO-EXTRUSION OF MULTI-COMPONENT ECTOPARASITICIDAL PET COLLARS CONAGRA PET PRODUCTS, INC. (US) 1991-07-31 EP disclosed
US-4803956-A Animal collar for controlling fleas and ticks A. H. ROBINS COMPANY, INCORPORATED (US) 1989-02-14 US disclosed
EP-0178908-A2 Co-extrusion of multi-component ectoparasiticidal pet collars CONAGRA PET PRODUCTS, INC. (US) 1986-04-23 EP disclosed
US-4332817-A CARBAMATES WITH ALKANEDIOLS CELANESE CORPORATION (US) 1982-06-01 US disclosed
US-4226881-A ARYL OR HETEROCYCLIC N-ALKYL CARBAMATE, SYNERGISTIC ALKANEDIOL CELANESE CORPORATION (US) 1980-10-07 US disclosed
US-4150109-A DIAZINON, DIAZOXONE, COLLARS DICK PIERRE R G 1979-04-17 US disclosed