Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL9750460

CNC(=O)c1cccc2c(C(F)(F)F)c(OC)ccc12.COC(C)=O

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.57
AKR1B10 O60218 1/20 0.55
AKR1A1 P14550 1/20 0.55
AKR1B1 P15121 1/20 0.55
MTNR1A P48039 1/20 0.43
KDR P35968 2/20 0.39
AURKA O14965 1/20 0.39
LCK P06239 1/20 0.39
MET P08581 1/20 0.39
TEK Q02763 1/20 0.39
AURKB Q96GD4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNK3 O14649 1/20 0.37

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
SCHEMBL9575302 0.84 AKR1B10 (0.61) PLK1AKR1B10AKR1A1AKR1B1ALDH1A1
SCHEMBL10416214 0.84 AKR1B10 (0.58) PLK1AKR1B10AKR1A1AKR1B1KDR
SCHEMBL7089895 0.83 AKR1B10 (0.62) PLK1AKR1B10AKR1A1AKR1B1GAA
SCHEMBL10417713 0.82 AKR1B10 (0.55) PLK1AKR1B10AKR1A1AKR1B1KDR
SCHEMBL10641624 0.81 AKR1B10 (0.56) PLK1AKR1B10AKR1A1AKR1B1KDR
SCHEMBL7113675 0.81 AKR1B10 (0.65) PLK1AKR1B10AKR1A1AKR1B1ALDH1A1
SCHEMBL18530548 0.81 PLK1 (0.49) PLK1AKR1B10AKR1A1AKR1B1MTNR1A
SCHEMBL10417230 0.81 AKR1B10 (0.58) PLK1AKR1B10AKR1A1AKR1B1KDR
SCHEMBL7110674 0.81 AKR1B10 (0.53) PLK1AKR1B10AKR1A1AKR1B1KDR
SCHEMBL10416215 0.81 AKR1B10 (0.61) PLK1AKR1B10AKR1A1AKR1B1ALDH1A1

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
US-4935514-A Thiation process ETHYL CORPORATION (US) 1990-06-19 US claimed
US-4935513-A Thiation process ETHYL CORPORATION (US) 1990-06-19 US claimed
EP-0212569-B1 THIATION PROCESS ETHYL CORPORATION (US) 1991-05-22 EP disclosed
US-4935514-A Thiation process ETHYL CORPORATION (US) 1990-06-19 US disclosed
US-4935510-A Thiation process ETHYL CORPORATION (US) 1990-06-19 US disclosed
US-4663452-A Thiation process ETHYL CORPORATION (US) 1987-05-05 US disclosed
EP-0212569-A2 Thiation process ETHYL CORPORATION (US) 1987-03-04 EP disclosed