SCHEMBL8010045

SCHEMBL8010045

O=[N+]([O-])C=Cc1ccc(O)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.72
ABL1 P00519 1/20 0.72
ABL2 P42684 1/20 0.72
VCP P55072 5/20 0.61
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
GALR2 O43603 1/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
SYK P43405 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
FBP1 P09467 14/20 0.58
MITF O75030 1/20 0.56
HSP90AA1 P07900 1/20 0.56
NPC1 O15118 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2052285 0.84 EGFR (1.00) EGFRABL1ABL2VCPALDH1A1
SCHEMBL793784 0.84 VCP (0.72) EGFRABL1ABL2VCPALDH1A1
SCHEMBL29371330 0.84 EGFR (1.00) EGFRABL1ABL2VCPALDH1A1
SCHEMBL4491460 0.84 VCP (0.72) EGFRABL1ABL2VCPALDH1A1
SCHEMBL2052283 0.84 EGFR (1.00) EGFRABL1ABL2VCPALDH1A1
SCHEMBL30592059 0.84 VCP (0.72) EGFRABL1ABL2VCPALDH1A1
SCHEMBL3667077 0.81 EGFR (0.93) EGFRABL1ABL2VCPALDH1A1
SCHEMBL3667079 0.81 EGFR (0.93) EGFRABL1ABL2VCPALDH1A1
SCHEMBL3696050 0.80 FBP1 (0.53) EGFRABL1ABL2VCPALDH1A1
SCHEMBL3696051 0.80 FBP1 (0.53) EGFRABL1ABL2VCPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162614-A Sugar ester derivatives, reagents for measurement of hydrolase activity and methods for measurement of hydrolase activity TOYO BOSEKI KABUSHIKI KAISHA (JP) 2000-12-19 US disclosed
EP-0346912-B1 Sugar ester derivatives, reagents for measurement of hydrolase activity and methods for measurement of hydrolase activity TOYO BOSEKI (JP) 1997-12-17 EP disclosed
EP-0346912-A2 Sugar ester derivatives, reagents for measurement of hydrolase activity and methods for measurement of hydrolase activity Toyo Boseki Kabushiki Kaisha (JP) 1989-12-20 EP disclosed