SCHEMBL8631969

SCHEMBL8631969

COC(=O)[C@]1(C)Oc2ccccc2NC1=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
POLB P06746 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX5 P09917 4/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 2/20 0.43
IDO1 P14902 1/20 0.40
RAB9A P51151 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
BRD4 O60885 1/20 0.39
BACE1 P56817 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL8708041 1.00 MAPT (0.60) MAPTPOLBHSD17B10ALOX5KDM4E
SCHEMBL8627512 1.00 MAPT (0.60) MAPTPOLBHSD17B10ALOX5KDM4E
SCHEMBL8631966 0.84 MAPT (0.56) MAPTPOLBHSD17B10ALOX5ALDH1A1
SCHEMBL8634643 0.83 MAPT (0.64) MAPTPOLBHSD17B10ALOX5KDM4E
SCHEMBL8630183 0.83 MAPT (0.64) MAPTPOLBHSD17B10ALOX5KDM4E
SCHEMBL8630641 0.83 MAPT (0.64) MAPTPOLBHSD17B10ALOX5KDM4E
SCHEMBL17662050 0.80 MAPT (0.52) MAPTPOLBHSD17B10ALOX5KDM4E
SCHEMBL8963186 0.74 MAPT (0.58) MAPTPOLBHSD17B10ALOX5KDM4E
SCHEMBL8963183 0.74 MAPT (0.58) MAPTPOLBHSD17B10ALOX5KDM4E
SCHEMBL8963178 0.74 MAPT (0.58) MAPTPOLBHSD17B10ALOX5KDM4E

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
US-5824652-A IMMUNOSTIMULANTS, ANTITUMOR AGENTS UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TECHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) 1998-10-20 US disclosed
EP-0695308-B1 NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIV LJUBLJANI (SI) 1998-07-01 EP disclosed
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