SCHEMBL23735017

SCHEMBL23735017

C[S+]([O-])C(C)(CCN1CC=C(c2ccc(C#CC3CCCCC3)cc2)CC1)C(=O)NO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
DRD4 P21917 3/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 1/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 4/20 0.33
KCNA3 P22001 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
SCHEMBL23735005 0.96 PPARG (0.36) KDM4EMEN1KMT2APPARGPPARA
SCHEMBL23735090 0.86 QDPR (0.39) KDM4EPPARGPPARADRD4DRD2
SCHEMBL23735024 0.86 KDM4E (0.44) KDM4EMAPTKMT2APPARGPPARA
SCHEMBL23735012 0.85 DRD2 (0.40) KDM4EPPARGPPARADRD4DRD2
SCHEMBL19989612 0.85
SCHEMBL23734846 0.84 MEN1 (0.38) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL23735066 0.84 PPARG (0.37) KDM4EMAPTPPARGPPARADRD4
SCHEMBL19989653 0.84
SCHEMBL23735061 0.83 DRD2 (0.43) KDM4EPPARGPPARADRD4DRD2
SCHEMBL23735076 0.83 DRD2 (0.43) KDM4EPPARGPPARADRD4DRD2

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
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 EP disclosed