SCHEMBL7853344

SCHEMBL7853344

C[C@](N)(C(=O)N1CCCC1C(OC(=O)C(F)(F)F)C(=O)NC1CCCCC1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
EPHX1 P07099 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
EPHX2 P34913 2/20 0.31

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
SCHEMBL7844108 0.74 DPP4 (0.48) KDM4EDPP4DPP8
SCHEMBL7854902 0.74 DPP4 (0.48) KDM4EDPP4DPP8
SCHEMBL7853907 0.73 DPP4 (0.49) KDM4EDPP4DPP8
SCHEMBL7855053 0.70 DPP4 (0.50) DPP4DPP8
SCHEMBL7851340 0.66 MEN1 (0.36) KDM4ESMN1; SMN2ALDH1A1PDK1PDK2
SCHEMBL7851808 0.65 GAA (0.42) KDM4ESMN1; SMN2POLBGAAEPHX1
SCHEMBL7853019 0.65 MEN1 (0.34) PDK1PDK2PDK3PDK4EPHX1
SCHEMBL7853637 0.63 EPHX1 (0.52) KDM4ESMN1; SMN2POLBLMNAGAA
SCHEMBL7843753 0.63 EPHX1 (0.52) KDM4ESMN1; SMN2POLBLMNAGAA
SCHEMBL7851805 0.63 EPHX1 (0.52) KDM4ESMN1; SMN2POLBLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709373-B1 PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU (JP) 2001-10-17 EP disclosed
US-5965556-A KETO-ACID AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR INHIBITING THE ACTIVITY OF SERINE PROTEASE OR THIOL PROTEASE BY ADMINISTERING THE DERIVATIVE TO A MAMMAL; ALZHEIMER'S DISEASE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1999-10-12 US disclosed
US-5756763-A ENZYME INHIBITOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1998-05-26 US disclosed
EP-0709373-A1 NOVEL PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-05-01 EP disclosed