SCHEMBL8981007

SCHEMBL8981007

CC(=O)OCCN1COc2cc(C)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PRF1 P14222 1/20 0.36
SLC18A3 Q16572 1/20 0.36
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
CYP19A1 P11511 1/20 0.34
CASP3 P42574 2/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
PLK1 P53350 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9171003 0.91 MEN1 (0.41) ALDH1A1PRF1SLC18A3TSHRHTT
SCHEMBL8981302 0.87 ALDH1A1 (0.41) ALDH1A1PRF1SLC18A3HTTCASP3
SCHEMBL8980698 0.84 PRMT5 (0.41) ALDH1A1PRF1SLC18A3CASP3CYP2C9
SCHEMBL8638816 0.84 ALDH1A1 (0.41) ALDH1A1SLC18A3TSHRCASP3GAA
SCHEMBL8575685 0.82 CYP19A1 (0.39) TSHRHTTCYP19A1NPC1
SCHEMBL9173152 0.81 ALDH1A1 (0.39) ALDH1A1PRF1HTTCYP3A4MAPT
SCHEMBL9167754 0.80 ALDH1A1 (0.36) ALDH1A1CYP19A1NPC1SMN1; SMN2
SCHEMBL9174102 0.79 CYP19A1 (0.39) CYP19A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL9174736 0.77 ALDH1A1 (0.41) ALDH1A1SLC18A3TSHRCASP3CYP3A4
SCHEMBL8797091 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP 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