SCHEMBL8445301

SCHEMBL8445301

CC(=O)NC[C@H]1CC(c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 0.38
CDK9 P50750 8/20 0.38
MMP2 P08253 5/20 0.38
MMP3 P08254 5/20 0.38
SYK P43405 1/20 0.37
TDO2 P48775 1/20 0.35
KIT P10721 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
NAMPT P43490 1/20 0.35
USP5 P45974 1/20 0.34
WNT3A P56704 1/20 0.34

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
SCHEMBL8446917 0.83 MEN1 (0.39) CCNT1CDK9NAMPT
SCHEMBL7514922 0.80 NAMPT (0.48) KITNAMPTWNT3A
SCHEMBL7514921 0.79 MAOA (0.49)
SCHEMBL8451797 0.77 MAPKAPK2 (0.39) NAMPT
SCHEMBL7611302 0.73 MTNR1A (0.42)
SCHEMBL7508213 0.73 MTNR1A (0.42)
SCHEMBL7121703 0.73 MTNR1A (0.42)
SCHEMBL7544832 0.73 MTNR1A (0.50)
SCHEMBL7118665 0.73 CCNT1 (0.39) CCNT1CDK9MMP2MMP3SYK
SCHEMBL7118426 0.73 CCNT1 (0.39) CCNT1CDK9MMP2MMP3SYK

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-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 1999-05-06 EP disclosed
WO-1997043280-A1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1997-11-20 WO disclosed