SCHEMBL22864002

SCHEMBL22864002

COc1ccc(COC(=O)C2CCN(Cc3ccc(OC)cc3)CC2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
SLC18A3 Q16572 6/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CCR2 P41597 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL22864003 0.86 KDM4E (0.52) KDM4ESLC18A3SIGMAR1DRD2
SCHEMBL14760859 0.74 SIGMAR1 (0.52) HRH3SIGMAR1
SCHEMBL14760858 0.74 SIGMAR1 (0.52) HRH3SIGMAR1
SCHEMBL14761087 0.74 SIGMAR1 (0.52) HRH3SIGMAR1
SCHEMBL22863936 0.73 S1PR5 (0.70) KDM4ESLC18A3SIGMAR1
SCHEMBL23989918 0.71 FABP7 (0.48)
SCHEMBL26630741 0.71 FABP7 (0.48)
SCHEMBL28043174 0.70 KDM4E (0.49) KDM4ESLC18A3SIGMAR1DRD2
SCHEMBL22488321 0.70 ALDH1A1 (0.57) KDM4ESLC18A3SIGMAR1
SCHEMBL22488317 0.70 ALDH1A1 (0.57) KDM4ESLC18A3SIGMAR1

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
WO-2021003398-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-01-07 WO disclosed