SCHEMBL7601139

SCHEMBL7601139

C=CCOC(=O)c1c(OC(C)=O)cc(C)cc1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ELANE P08246 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 3/20 0.36
ALOX5 P09917 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
GABRP O00591 1/20 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
SCHEMBL6589801 0.79 CYP3A4 (0.49) CYP3A4KDM4EHPGDLMNASMN1; SMN2
SCHEMBL7601281 0.78 NR1H2 (0.51) CYP3A4KDM4EHPGDLMNASMN1; SMN2
SCHEMBL6290006 0.75 POLB (0.63) CYP3A4KDM4EHPGDLMNASMN1; SMN2
SCHEMBL15695711 0.74 CYP3A4 (0.50) CYP3A4KDM4EHPGDLMNASMN1; SMN2
SCHEMBL4629655 0.73 CYP3A4 (0.68) CYP3A4PTGS1KDM4EHPGDLMNA
SCHEMBL7631407 0.72 CYP3A4 (0.59) CYP3A4KDM4EHPGDLMNASMN1; SMN2
SCHEMBL429496 0.72 CYP3A4 (0.56) CYP3A4KDM4EHPGDLMNASMN1; SMN2
SCHEMBL10870098 0.70 CYP3A4 (0.46) CYP3A4KDM4EHPGDLMNASMN1; SMN2
SCHEMBL2648567 0.69 KDM4E (0.40) PTGS1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL27767583 0.69 CYP3A4 (0.49) CYP3A4KDM4EHPGDLMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915832-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX INC (US) 2002-10-02 EP disclosed
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed