SCHEMBL8963186

SCHEMBL8963186

C[C@H](C=O)NC(=O)C1(C)Oc2ccccc2NC1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ALOX5 P09917 4/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
PARP1 P09874 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL8963183 0.82 MAPT (0.58) MAPTPOLBHSD17B10NPC1KDM4E
SCHEMBL8963178 0.82 MAPT (0.58) MAPTPOLBHSD17B10NPC1KDM4E
SCHEMBL12850507 0.77 MAPT (0.55) MAPTLMNA
SCHEMBL8630183 0.75 MAPT (0.64) MAPTPOLBHSD17B10NPC1KDM4E
SCHEMBL8630641 0.75 MAPT (0.64) MAPTPOLBHSD17B10NPC1KDM4E
SCHEMBL8634643 0.75 MAPT (0.64) MAPTPOLBHSD17B10NPC1KDM4E
SCHEMBL8627512 0.74 MAPT (0.60) MAPTPOLBHSD17B10NPC1KDM4E
SCHEMBL8708041 0.74 MAPT (0.60) MAPTPOLBHSD17B10NPC1KDM4E
SCHEMBL8631969 0.74 MAPT (0.60) MAPTPOLBHSD17B10NPC1KDM4E
SCHEMBL8630166 0.72 MAPT (0.51) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695308-A1 NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) 1996-02-07 EP disclosed
WO-1994024152-A1 NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) 1994-10-27 WO disclosed