SCHEMBL8028102

SCHEMBL8028102

CCOC(=O)C(C(N)=O)C1(C)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
ALOX15 P16050 1/20 0.38
CAD P27708 1/20 0.33
METAP2 P50579 2/20 0.32
KDM4E B2RXH2 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
AURKA O14965 1/20 0.31
NTRK1 P04629 1/20 0.31
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 0.30
DPP4 P27487 1/20 0.30
FAP Q12884 1/20 0.30
PITRM1 Q5JRX3 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7207337 0.89 ALDH1A1 (0.44) ALDH1A1ALOX15METAP2KDM4EL3MBTL1
SCHEMBL14899077 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15METAP2KDM4EL3MBTL1
SCHEMBL7208245 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15KDM4EL3MBTL1SMN1; SMN2
SCHEMBL9637790 0.79 ALDH1A1 (0.40) ALDH1A1ALOX15KDM4EL3MBTL1HPGD
SCHEMBL8411779 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2LMNADPP4FAP
SCHEMBL11477925 0.74 ALDH1A1 (0.41) ALDH1A1ALOX15KDM4EL3MBTL1HPGD
SCHEMBL22992426 0.73 ALOX15 (0.37) ALDH1A1ALOX15CADKDM4ESMN1; SMN2
SCHEMBL26931966 0.71 ALDH1A1 (0.44) ALDH1A1L3MBTL1HPGDLMNAHSD17B10
SCHEMBL14677522 0.71 MGAM (0.41) ALDH1A1ALOX15KDM4EL3MBTL1HSD17B10
SCHEMBL8277962 0.71 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1SMN1; SMN2LMNA

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
US-6100424-A Process for the preparation of amino acetic acid esters with a tertiary hydrocarbon radical in the α-position DEGUSSA-HUELS AKTIENGESELLSCHAFT (DE) 2000-08-08 US claimed
US-6100424-A Process for the preparation of amino acetic acid esters with a tertiary hydrocarbon radical in the α-position DEGUSSA-HUELS AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed