SCHEMBL7207426

SCHEMBL7207426

C=C(COC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
HTR2A P28223 1/20 0.50
KMT2A Q03164 6/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 6/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MGLL Q99685 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
AR P10275 1/20 0.43
RAB9A P51151 2/20 0.42

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
SCHEMBL278663 0.85 BCL9 (0.62) BCL9CTNNB1HTR2AKMT2AGAA
SCHEMBL4644859 0.84 BCL9 (0.58) BCL9CTNNB1HTR2AKMT2AGAA
SCHEMBL2597257 0.82 HTR2A (0.55) BCL9CTNNB1HTR2AKMT2AGAA
SCHEMBL4642193 0.79 HTR2A (0.58) BCL9CTNNB1HTR2AKMT2AGAA
SCHEMBL5459025 0.79 BCL9 (0.52) BCL9CTNNB1HTR2AKMT2AGAA
SCHEMBL12858126 0.78 BCL9 (0.60) BCL9CTNNB1HTR2AKMT2AGAA
SCHEMBL15987340 0.78 HTR2A (0.56) BCL9CTNNB1HTR2AKMT2AGAA
SCHEMBL7437269 0.77 MAPT (0.60) BCL9CTNNB1KMT2AMAPTCRHBP
SCHEMBL8357967 0.77 LMNA (0.53) KMT2AGAAMAPTL3MBTL1ALDH1A1
SCHEMBL15997205 0.77 PTGS2 (0.59) BCL9CTNNB1HTR2AKMT2AGAA

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-1087980-B1 DERIVATIVES OF 3-(2-OXO- 1,3']BIPYRROLIDINYL-3-YLIDENEMETHYL)-CEPHEMS BASILEA PHARMACEUTICA AG (CH) 2003-01-29 EP disclosed
US-6232306-B1 USEFUL AS ANTIBIOTICS ESPECIALLY AGAINST METHICILLIN RESISTANT STAPHYLCOCCI AND PSEUDOMONAS SPECIES HOFFMANN-LA ROCHE INC. 2001-05-15 US disclosed
EP-1087980-A1 DERIVATIVES OF 3-(2-OXO- 1,3']BIPYRROLIDINYL-3-YLIDENEMETHYL)-CEPHEMS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP disclosed
WO-2001004127-A1 VINYLPYRROLIDINONE DERIVATIVES WITH SUBSTITUTED THIAZOLE RING F. HOFFMANN-LA ROCHE AG (CH) 2001-01-18 WO disclosed
WO-1999065920-A1 DERIVATIVES OF 3-(2-OXO-[1,3']BIPYRROLIDINYL-3-YLIDENEMETHYL)-CEPHEMS F. HOFFMANN-LA ROCHE AG (CH) 1999-12-23 WO disclosed