SCHEMBL28811338

SCHEMBL28811338

CCC(C)(C(=O)ON1CC=C(c2ccc(I)cc2)CC1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.34
MMP3 P08254 4/20 0.34
NAMPT P43490 3/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 2/20 0.31
QDPR P09417 3/20 0.31
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28810914 0.84 MMP2 (0.33) MMP2MMP3PPARGPPARA
SCHEMBL28810922 0.82 CYP2D6 (0.31) MMP2MMP3PPARGPPARA
SCHEMBL28811901 0.81 GABRP (0.34) MMP2MMP3
SCHEMBL28811381 0.80 DRD2 (0.33) MMP2MMP3
Hydrochloric Acid SCHEMBL28810953 0.79 ALDH2 (0.31)
SCHEMBL28811342 0.78
SCHEMBL28810877 0.77 MMP2 (0.33) MMP2MMP3
SCHEMBL19989646 0.74 PPARG (0.41) PPARGPPARAKDM4EMAPT
SCHEMBL28810883 0.74 MMP2 (0.33) MMP2MMP3
SCHEMBL19989668 0.72 PPARG (0.45) MMP2MMP3PPARGPPARAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed