SCHEMBL8630786

SCHEMBL8630786

CCOC(=O)C1(C)Oc2ccccc2N(CC)C1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 2/20 0.51
GLA P06280 2/20 0.51
CTDSP1 Q9GZU7 2/20 0.48
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALPL P05186 1/20 0.41
CNR1 P21554 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
GAA P10253 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
SCHEMBL7819783 0.86 MAPT (0.52) ALDH1A1MAPTGLACTDSP1KMT2A
SCHEMBL8631279 0.84 ALPL (0.44) ALDH1A1MAPTKMT2AMEN1ALPL
SCHEMBL17027045 0.76 ALPL (0.49) ALDH1A1MAPTKMT2AMEN1ALPL
SCHEMBL11735299 0.76 GLA (0.50) ALDH1A1MAPTGLACTDSP1KMT2A
SCHEMBL8632329 0.75 TSHR (0.52) ALDH1A1MAPTKMT2AMEN1ALPL
SCHEMBL8631966 0.72 MAPT (0.56) ALDH1A1MAPTGLACTDSP1KMT2A
SCHEMBL11277121 0.71 MAPT (0.44) ALDH1A1MAPTGLACTDSP1OPRM1
SCHEMBL8632420 0.71 ELANE (0.50) ALDH1A1MAPTKMT2AMEN1ALPL
SCHEMBL11103772 0.70 ALDH1A1 (0.66) ALDH1A1MAPTGLACTDSP1KMT2A
SCHEMBL8630231 0.70 P2RX4 (0.48) ALDH1A1MAPTGLACTDSP1

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