SCHEMBL6545328

SCHEMBL6545328

C=CCOC(=O)C(CN)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CASP1 P29466 1/20 0.36
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CYP3A4 P08684 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
SCHEMBL873716 0.83 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTEPHX1
SCHEMBL874451 0.81 ALDH1A1 (0.45) ALDH1A1GAANPSR1MAPTKDM4E
SCHEMBL23340705 0.79 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTEPHX1
SCHEMBL21807114 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1TP53MAPTKDM4E
SCHEMBL872846 0.78 ALDH1A1 (0.44) ALDH1A1GAANPSR1MAPTEPHX1
SCHEMBL1234256 0.77 ALDH1A1 (0.48) ALDH1A1GAANPSR1TP53MAPT
SCHEMBL27553127 0.77 ALDH1A1 (0.44) ALDH1A1NPSR1TP53MAPTKDM4E
SCHEMBL872973 0.76 TSHR (0.48) ALDH1A1GAANPSR1EPHX1
SCHEMBL296011 0.76 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTEPHX1
SCHEMBL3917383 0.76 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTEPHX1

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-1373186-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS Solchem Italiana S.p.A (IT) 2004-01-02 EP disclosed
WO-2002074727-A1 A PROCESS FOR THE PREPARATION OF CYCLIC AMINO ACIDS SOLCHEM ITALIANA S.P.A. (IT) 2002-09-26 WO disclosed