SCHEMBL8638816

SCHEMBL8638816

CC(=O)OCCN1COc2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SLC18A3 Q16572 1/20 0.40
HPGD P15428 1/20 0.39
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
BRCA1 P38398 1/20 0.38
LMNA P02545 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
TSHR P16473 1/20 0.36
PTGS2 P35354 1/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35

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
SCHEMBL8981116 0.90 RXFP1 (0.39) ALDH1A1SLC18A3HPGDELANESMN1; SMN2
SCHEMBL9171003 0.85 MEN1 (0.41) ALDH1A1SLC18A3SMN1; SMN2LMNAGAA
SCHEMBL8981007 0.84 ALDH1A1 (0.42) ALDH1A1SLC18A3SMN1; SMN2RXFP1GAA
SCHEMBL9173152 0.84 ALDH1A1 (0.39) ALDH1A1HPGDMAPT
SCHEMBL8981302 0.83 ALDH1A1 (0.41) ALDH1A1SLC18A3SMN1; SMN2CASP3
SCHEMBL5582347 0.82 TDP1 (0.48) ALDH1A1HPGDSMN1; SMN2GLABRCA1
SCHEMBL8980560 0.81 PKM (0.36) GAAMAPTTSHRPRMT5WDR77
SCHEMBL9493171 0.80 ALDH1A1 (0.36) ALDH1A1SLC18A3HPGDSMN1; SMN2RXFP1
SCHEMBL8980698 0.80 PRMT5 (0.41) ALDH1A1SLC18A3HPGDLMNAMAPT
SCHEMBL8980658 0.79 PKM (0.37) ALDH1A1TSHRPRMT5WDR77

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
EP-0566018-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1998-08-05 EP disclosed
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
US-5480882-A Benzoxazinone and benzothiazinone derivatives having cardiovascular activity ITALFARMACO S.P.A. (IT) 1996-01-02 US disclosed
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 US disclosed
EP-0490183-A1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1992-06-17 EP disclosed