SCHEMBL6545168

SCHEMBL6545168

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
CASP1 P29466 1/20 0.36
EPHX1 P07099 3/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL11371838 0.91 ALDH1A1 (0.36) ALDH1A1GAANPSR1MAPTCASP1
SCHEMBL6545010 0.82 ALDH1A1 (0.43) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL4371216 0.81 ALDH1A1 (0.49) ALDH1A1GAANPSR1TSHRKMT2A
SCHEMBL3856521 0.81 ALDH1A1 (0.49) ALDH1A1GAANPSR1TSHRKMT2A
SCHEMBL3455285 0.79 ALDH1A1 (0.47) ALDH1A1GAANPSR1TSHRKMT2A
SCHEMBL7136670 0.79 ALDH1A1 (0.47) ALDH1A1GAANPSR1TSHRKMT2A
SCHEMBL1234256 0.79 ALDH1A1 (0.48) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL23340705 0.77 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL296011 0.77 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTNPC1
SCHEMBL3917383 0.77 ALDH1A1 (0.47) ALDH1A1GAANPSR1MAPTNPC1

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