SCHEMBL8486358

SCHEMBL8486358

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCC1C(O)C(=O)NC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
EPHX1 P07099 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
UCHL1 P09936 2/20 0.41
SCN4A P35499 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP30 Q70CQ3 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.39
HSD11B1 P28845 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7853637 0.91 EPHX1 (0.52) HSD17B10EPHX1SMN1; SMN2NPC1SCN4A
SCHEMBL7843753 0.91 EPHX1 (0.52) HSD17B10EPHX1SMN1; SMN2NPC1SCN4A
SCHEMBL7851805 0.91 EPHX1 (0.52) HSD17B10EPHX1SMN1; SMN2NPC1SCN4A
SCHEMBL7845655 0.90 EPHX1 (0.50) HSD17B10EPHX1SMN1; SMN2NPC1SCN4A
SCHEMBL7851415 0.86 EPHX1 (0.45) HSD17B10EPHX1SMN1; SMN2NPC1SCN4A
SCHEMBL7854143 0.81 GAA (0.39) EPHX1SMN1; SMN2NPC1UCHL1NPSR1
SCHEMBL7423990 0.79 KDM4E (0.61) HSD17B10EPHX1SMN1; SMN2NPC1SCN4A
SCHEMBL7851808 0.78 GAA (0.42) EPHX1SMN1; SMN2NPSR1POLBKMT2A
SCHEMBL3331101 0.75 SCN4A (0.58) HSD17B10EPHX1SMN1; SMN2NPC1SCN4A
SCHEMBL3331106 0.75 SCN4A (0.58) HSD17B10EPHX1SMN1; SMN2NPC1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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