SCHEMBL8910530

SCHEMBL8910530

CCOC(=O)c1ccc2oc(CC)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
SLC27A1 Q6PCB7 1/20 0.51
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.45

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
SCHEMBL9374745 0.89 SLC27A1 (0.49) GAASLC27A1RAB9ANPC1CA12
SCHEMBL17221764 0.87 GAA (0.57) GAARAB9ANPC1MAPTALDH1A1
SCHEMBL10954871 0.87 SLC27A1 (0.48) GAASLC27A1RAB9ANPC1CA12
SCHEMBL10892621 0.87 SLC27A1 (0.48) GAASLC27A1RAB9ANPC1CA12
SCHEMBL10892622 0.86 SLC27A1 (0.49) GAASLC27A1RAB9ANPC1CA12
SCHEMBL9373272 0.85 RAB9A (0.53) SLC27A1RAB9ANPC1MAPTMEN1
SCHEMBL5961129 0.83 CA12 (0.48) SLC27A1RAB9ANPC1CA12CA1
SCHEMBL22382443 0.83 ALDH1A1 (0.50) SLC27A1RAB9ANPC1CA12CA1
SCHEMBL31208317 0.83 ALDH1A1 (0.50) SLC27A1RAB9ANPC1CA12CA1
SCHEMBL4164777 0.82 GAA (0.65) GAARAB9ANPC1TAS1R3TAS1R1

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
US-5639763-A FOR AGRICULTURAL APPLICATIONS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US disclosed