SCHEMBL7770012

SCHEMBL7770012

O=C(O)OC[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TGM2 P21980 2/20 0.49
F13A1 P00488 1/20 0.49
TGM1 P22735 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45

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
SCHEMBL8393648 0.92 LMNA (0.58) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL14451405 0.89 LMNA (0.54) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL7766510 0.88 TGM2 (0.55) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL29652185 0.86 LMNA (0.52) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL14451403 0.86 LMNA (0.52) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL8029231 0.86 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL8395084 0.86 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL29955637 0.85 TGM2 (0.51) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL4807385 0.85 TGM2 (0.51) ALDH1A1LMNASMN1; SMN2TGM2F13A1
SCHEMBL13668665 0.85 TPSAB1 (0.54) ALDH1A1LMNASMN1; SMN2TGM2F13A1

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-1115731-A2 NOVEL PYRANOSES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-07-18 EP disclosed
WO-2000014097-A2 NOVEL PYRANOSES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-16 WO disclosed