SCHEMBL8787481

SCHEMBL8787481

C=CCOC(=O)c1ccc([N+](=O)[O-])c(C(=O)OCC=C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 5/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
SNCA P37840 1/20 0.44
LMNA P02545 3/20 0.42
GLA P06280 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL2705489 0.89 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL8787882 0.85 ALDH1A1 (0.49) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL8759316 0.85 CYP3A4 (0.49) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL1459781 0.85 TSHR (0.56) ALDH1A1TSHRMAPTRAB9AKMT2A
SCHEMBL8787638 0.85 ALDH1A1 (0.50) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL8787936 0.85 MAPT (0.55) CYP3A4ALDH1A1TSHRMAPTKMT2A
SCHEMBL8788640 0.84 AR (0.44) CYP3A4ALDH1A1MAPTRAB9AKMT2A
SCHEMBL5108863 0.84 HCAR3 (0.48) CYP3A4ALDH1A1TSHRMAPTRAB9A
SCHEMBL8787027 0.84 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRHSD17B10MAPT
SCHEMBL753770 0.83 KMT2A (0.45) CYP3A4ALDH1A1TSHRHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508682-B1 Antibiotic carbapenem derivatives ZENECA LTD (GB) 1997-07-23 EP disclosed
CN-1066657-A Antimicrobial compounds ICI PLC (GB) 1992-12-02 CN disclosed
WO-1992017481-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed
EP-0508682-A1 Antibiotic carbapenem derivatives ZENECA LIMITED (GB) 1992-10-14 EP disclosed