SCHEMBL7763255

SCHEMBL7763255

CCC(C)(CC)CCN[C@@H](CC(=O)OC)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.30
SLC1A1 P43005 1/20 0.30
TGFBR1 P36897 1/20 0.30
MAPK1 P28482 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
SCHEMBL7213859 0.85 GRN (0.36) MEN1KMT2ATSHRGAASLC1A1
SCHEMBL7103783 0.74 CYP2D6 (0.39) MEN1KMT2ATSHRGAA
Hydrochloric Acid SCHEMBL7102139 0.73 CYP2D6 (0.38) MEN1KMT2AGAA
SCHEMBL7097493 0.72 CA1 (0.33) TSHR
SCHEMBL11246906 0.72 TSHR (0.39) MEN1KMT2ATSHRTGFBR1MAPK1
SCHEMBL12391612 0.71 MME (0.34) TSHRTGFBR1MAPK1
SCHEMBL11148996 0.71 HTT (0.47) TSHRGAAMAPK1
SCHEMBL27889526 0.71 TGFBR1 (0.36) HSD17B10TSHRGAASLC1A1TGFBR1
SCHEMBL9805779 0.70 KDM4E (0.46) MEN1KMT2AHPGDTSHRMAPK1
SCHEMBL9805775 0.70 KDM4E (0.46) MEN1KMT2AHPGDTSHRMAPK1

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
WO-2001085977-A2 CHEMOENZYMATIC SYNTHESIS OF NEOTAME THE NUTRASWEET COMPANY (US) 2001-11-15 WO disclosed