SCHEMBL382489

SCHEMBL382489

CC(C)(C)C(N)([C@@H](N)C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.40
SLC1A3 P43003 3/20 0.40
SLC1A1 P43005 3/20 0.40
HSD11B1 P28845 1/20 0.39
LARS1 Q9P2J5 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
PTGS1 P23219 1/20 0.36
KYNU Q16719 2/20 0.36
KIF11 P52732 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34

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
SCHEMBL6357928 0.73 TSHR (0.55) SLC1A2SLC1A3SLC1A1HSD11B1LARS1
SCHEMBL6649064 0.72 HSD11B1 (0.46) HSD11B1ALDH1A1MAPTKDM4ECA12
SCHEMBL382491 0.71 HSD11B1 (0.42) SLC1A2SLC1A3SLC1A1HSD11B1LARS1
SCHEMBL28442855 0.70 CA1 (0.48) HSD11B1ALDH1A1CA12CA1CA2
SCHEMBL28797596 0.70 MAPT (0.47) HSD11B1ALDH1A1MAPTKDM4ECA12
SCHEMBL1464395 0.67 HSD11B1 (0.48) HSD11B1ALDH1A1CA12CA1CA2
SCHEMBL27853854 0.67 KCNN4 (0.46) HSD11B1ALDH1A1MAPTKDM4EGAA
SCHEMBL10652867 0.67 TSHR (0.48) HSD11B1ALDH1A1MAPTKDM4ECA12
SCHEMBL4401812 0.66 KIF11 (0.50) ALDH1A1MAPTPTGS1KIF11CYP1A2
SCHEMBL10604801 0.66 HSD11B1 (0.47) HSD11B1ALDH1A1CA1CA2TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed