SCHEMBL21022968

SCHEMBL21022968

CCOC(=O)CC(CCl)OC(C)OCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 6/20 0.34
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 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
SCHEMBL18196133 1.00 MGAM (0.36) MGAMGAASIMGAM2LMNA
SCHEMBL29130329 0.83 LMNA (0.38) LMNACYP1A2
SCHEMBL29130330 0.83 LMNA (0.38) LMNACYP1A2
SCHEMBL1107605 0.77 LMNA (0.38) LMNAALDH1A1TSHRTDP1HSD17B10
SCHEMBL9656160 0.76 ALDH1A1 (0.41) MGAMGAASIMGAM2LMNA
SCHEMBL28479927 0.75 MGAM (0.38) MGAMGAASIMGAM2LMNA
SCHEMBL28479929 0.75 MGAM (0.38) MGAMGAASIMGAM2LMNA
SCHEMBL18194367 0.74 LMNA (0.48) LMNA
SCHEMBL10697367 0.73 GAA (0.43) MGAMGAASIMGAM2LMNA
SCHEMBL18194372 0.73 MMP8 (0.39)

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-3091002-B1 METHOD FOR PRODUCING 5-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID API CORP (JP) 2019-10-09 EP disclosed
EP-3486232-A1 METHOD FOR PRODUCING 5-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID API Corporation (JP) 2019-05-22 EP disclosed