SCHEMBL9813700

SCHEMBL9813700

CNC(=O)Oc1ccc2scccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.43
PGR P06401 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 1/20 0.43
ERN1 O75460 1/20 0.40
LTA4H P09960 1/20 0.40
TMIGD3 P0DMS9 2/20 0.39
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
HDAC1 Q13547 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36

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
SCHEMBL27950330 0.74 MMP1 (0.46) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL4048688 0.74 TMIGD3 (0.58) ALDH1A1GAAPTGS1MAPK1HSD17B10
SCHEMBL4318402 0.71 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10ERN1LTA4H
SCHEMBL11271816 0.69 KMT2A (0.48) ALDH1A1GAAHSD17B10KDM4EL3MBTL1
SCHEMBL28496788 0.68 KDM4E (0.49) ALDH1A1GAALTA4HKDM4EL3MBTL1
SCHEMBL11207617 0.67 ALDH1A1 (0.79) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL28731982 0.66 ALDH1A1 (0.44) ALDH1A1GAAKDM4EKMT2AMAPT
SCHEMBL5934013 0.66 ALDH1A1 (0.58) ALDH1A1GAAPGRPTGS1MAPK1
SCHEMBL28416610 0.65 ALDH1A1 (0.44) ALDH1A1GAAMAPK1HSD17B10LTA4H
SCHEMBL8379241 0.65 TSHR (0.56) ALDH1A1GAAMAPK1HSD17B10TMIGD3

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 7 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
US-4684728-A Solubilizing biologically active compounds with reactive hydrogen atoms BAYER AKTIENGESELLSCHAFT (DE) 1987-08-04 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