SCHEMBL28811014

SCHEMBL28811014

CC(CCN1CC=C(c2ccc(-c3ccc(C=O)cc3)cc2)CC1)(C(=O)O)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
SIGMAR1 Q99720 8/20 0.41
KDM4E B2RXH2 3/20 0.41
MMP2 P08253 2/20 0.39
MMP3 P08254 1/20 0.39
KCNA3 P22001 1/20 0.39
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19989638 0.89 PPARG (0.39) PPARGPPARASIGMAR1KDM4EMMP2
SCHEMBL19989624 0.86 SIGMAR1 (0.46) PPARGPPARASIGMAR1KDM4EMMP2
SCHEMBL19989668 0.86 PPARG (0.45) PPARGPPARASIGMAR1KDM4EMMP2
SCHEMBL28810919 0.81 DRD2 (0.44) PPARGPPARASIGMAR1KDM4EKCNA3
SCHEMBL19989562 0.79 MAPK1 (0.42) PPARGPPARASIGMAR1KDM4EKCNA3
SCHEMBL19989620 0.79 SLC6A2 (0.57) KDM4EMMP2MMP3
SCHEMBL28810925 0.79 PPARG (0.43) PPARGPPARASIGMAR1KDM4EKCNA3
SCHEMBL19989695 0.78 KDM4E (0.50) PPARGPPARASIGMAR1KDM4EMMP2
SCHEMBL28811903 0.78 DRD2 (0.46) PPARGPPARAKCNA3
Hydrochloric Acid SCHEMBL28810954 0.77 PPARG (0.40) PPARGPPARASIGMAR1KDM4EKCNA3

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