Acetic Acid Phenyl Ester

Acetic Acid Phenyl Ester

SCHEMBL8037992

CC(=O)Oc1ccccc1.O=[N+]([O-])c1cnc(Sc2nnc(S)s2)s1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.49
MAPK9 P45984 8/20 0.49
MAPK10 P53779 1/20 0.49
MAPT P10636 7/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
AGTR1 P30556 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
ADRB2 P07550 1/20 0.43

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
Ethyl Acetate SCHEMBL8033586 0.81 MAPK8 (0.54) MAPK8MAPK9MAPK10MAPTALDH1A1
Hydroquinone SCHEMBL8042120 0.79 MAPK8 (0.59) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8037988 0.78 MAPK8 (0.50) MAPK8MAPK9MAPK10MAPTALDH1A1
Ethyl Chloride SCHEMBL8050699 0.77 MAPK8 (0.61) MAPK8MAPK9MAPK10MAPTALDH1A1
Acetic Acid Phenyl Ester SCHEMBL8045094 0.74 ELANE (0.51) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL11430427 0.73 MAPK8 (0.79) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8042507 0.73 MAPK9 (0.56) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8043300 0.72 MAPK8 (0.47) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8042773 0.72 MAPK8 (0.61) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL6746930 0.70 MAPK8 (0.69) MAPK8MAPK9MAPK10MAPTALDH1A1

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-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed