SCHEMBL8752003

SCHEMBL8752003

FC(F)=CCCSc1nccc(OCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.41
ALKBH1 Q13686 1/20 0.38
ALOX5 P09917 2/20 0.35
PTGES O14684 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MAPK14 Q16539 2/20 0.33
LTA4H P09960 1/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
PPARG P37231 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
GRM5 P41594 1/20 0.32
NUDT1 P36639 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8752062 0.84 HTT (0.39) HPGDRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL8751982 0.83 NPC1 (0.31) HPGDPOLBRAB9AALDH1A1MAPK1
SCHEMBL8752048 0.82 MAPK1 (0.32) ADORA3ADORA1HPGDRAB9AL3MBTL1
SCHEMBL8751995 0.81 SMN1; SMN2 (0.35) ADORA3ADORA1HSD17B10HPGDPOLB
SCHEMBL8752015 0.80 L3MBTL1 (0.33) L3MBTL1NUDT1
SCHEMBL8752040 0.80 MEN1 (0.34)
SCHEMBL8752080 0.78 ALOX15 (0.31)
SCHEMBL7620884 0.77 DUSP10 (0.51) HPGDPOLBL3MBTL1ALDH1A1MAPK1
SCHEMBL8752023 0.74 ALDH1A1 (0.41) HPGDPOLBRAB9AL3MBTL1ALDH1A1
SCHEMBL5928189 0.74 ALDH1A1 (0.33) HPGDPOLBL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684011-A Pyrimidine derivatives useful as nematicides ZENECA LIMITED (GB) 1997-11-04 US disclosed
EP-0660827-B1 HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY ZENECA LTD (GB) 1997-04-16 EP disclosed
EP-0660827-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY. ZENECA LTD (GB) 1995-07-05 EP disclosed
WO-1994006777-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY ZENECA LIMITED (GB) 1994-03-31 WO disclosed