SCHEMBL7508337

SCHEMBL7508337

COC(=O)N1CC=C(c2ccc(C3C(=O)OC(NC(C)=O)C3C)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.39
NAMPT P43490 11/20 0.38
WNT3A P56704 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
ADAM10 O14672 1/20 0.34
ERBB2 P04626 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP14 P50281 1/20 0.34
ADAM8 P78325 1/20 0.34
ADAM17 P78536 1/20 0.34
ADAM33 Q9BZ11 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7117906 1.00 QDPR (0.39) QDPRNAMPTWNT3ASUV39H2ADAM10
SCHEMBL7125301 0.91 NAMPT (0.49) NAMPTWNT3ACDK7CDK13CDK12
SCHEMBL7126216 0.91 NAMPT (0.49) NAMPTWNT3ACDK7CDK13CDK12
SCHEMBL7122767 0.87 NAMPT (0.39) QDPRNAMPT
SCHEMBL7130227 0.87 NAMPT (0.39) QDPRNAMPT
SCHEMBL7118426 0.82 CCNT1 (0.39) NAMPTWNT3AMMP2MMP3MMP14
SCHEMBL7122724 0.76 QDPR (0.40) QDPRNAMPTWNT3A
SCHEMBL7124582 0.76 QDPR (0.40) QDPRNAMPTWNT3A
SCHEMBL8308386 0.73 CYP2D6 (0.30)
SCHEMBL19297504 0.70 QDPR (0.49) QDPRNAMPTWNT3ASUV39H2ADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912561-B1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2002-12-04 EP disclosed
US-6110936-A A BACTERICIDE TREATING A BACTERIAL INFECTION IN A WARM BLOODED ANIMAL ZENECA LIMITED (GB) 2000-08-29 US disclosed