Ethyl Acetate

Ethyl Acetate

SCHEMBL7796384

CCOC(C)=O.O=C1CCC2c3cc(Cl)c(Cl)cc3CCC2N1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.52
MAPK1 P28482 1/20 0.34
HSD17B1 P14061 4/20 0.34
EP300 Q09472 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP19A1 P11511 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31

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
SCHEMBL7798953 0.84 SRD5A1 (0.69) SRD5A1HSD17B1EP300CYP19A1HTR2A
SCHEMBL7796303 0.71 SRD5A1 (0.61) SRD5A1ALDH1A1
SCHEMBL7796305 0.71 SRD5A1 (0.61) SRD5A1ALDH1A1
SCHEMBL7796419 0.69 SRD5A1 (0.70) SRD5A1DRD2DRD1SLC6A4ALDH1A1
SCHEMBL7796422 0.69 SRD5A1 (0.70) SRD5A1DRD2DRD1SLC6A4ALDH1A1
SCHEMBL7789450 0.69 SRD5A1 (1.00) SRD5A1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL7797837 0.69 SRD5A1 (1.00) SRD5A1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL7797824 0.66 SRD5A1 (0.65) SRD5A1HSD17B1LMNACYP19A1KMT2A
SCHEMBL8103045 0.66 SRD5A1 (0.54) SRD5A1CYP19A1HTR2AHTR2CHTR2B
SCHEMBL7796251 0.64 SRD5A1 (0.70) SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591583-B1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2001-12-19 EP disclosed
EP-0532190-B1 Benzo(f)quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2000-12-27 EP disclosed
US-5541190-A TREATING BENIGN PROSTATIC HYPERPLASIA, MALE PATTERN BALDNESS, PROSTATIC CANCER, ANDROGENIC ALOPECIA ELI LILLY AND COMPANY (US) 1996-07-30 US disclosed
US-5495021-A STEROID 5 ALPHA-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-27 US disclosed
US-5334767-A Steroid 5a-reductase inhibitor ELI LILLY AND COMPANY (US) 1994-08-02 US disclosed
EP-0591583-A1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1994-04-13 EP disclosed
US-5239075-A PROCESS FOR THE PREPARATION OF BENZO (F) QUINOLINONES ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
EP-0532190-A2 Benzo f quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed