SCHEMBL8445906

SCHEMBL8445906

CC(=O)NC[C@H]1C=C(c2ccc(C3=CCNCC3)cc2)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.40
QDPR P09417 3/20 0.40
SIGMAR1 Q99720 2/20 0.39
NAMPT P43490 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
BRD4 O60885 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TAF1 P21675 1/20 0.35
BRD2 P25440 1/20 0.35
BRPF1 P55201 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
BRWD1 Q9NSI6 1/20 0.35
FTO Q9C0B1 1/20 0.34
TBK1 Q9UHD2 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
SCHEMBL8445812 0.88 MAOA (0.40) HTR2CCTSLCTSBCTSSCTSK
SCHEMBL8643569 0.78 CTSL (0.39) MAPKAPK2CTSLCTSBCTSSCTSK
SCHEMBL8449648 0.78 F2 (0.31)
SCHEMBL8451797 0.74 MAPKAPK2 (0.39) HTR2CQDPRSIGMAR1NAMPTMAPKAPK2
SCHEMBL6398607 0.74 MAOA (0.51)
SCHEMBL6399424 0.74 MAOA (0.51)
SCHEMBL8656943 0.73 LMNA (0.47)
SCHEMBL13855694 0.73 GFER (0.44)
SCHEMBL7612443 0.72 MTNR1A (0.37)
SCHEMBL8656349 0.72 MAOA (0.47)

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