SCHEMBL9810409

SCHEMBL9810409

N[C@@H](C[C@H]1CC2CCC1C2)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.44
GRIN3B O60391 5/20 0.44
GRIN1 Q05586 5/20 0.44
GRIN2A Q12879 5/20 0.44
GRIN2B Q13224 5/20 0.44
GRIN2C Q14957 5/20 0.44
GRIN3A Q8TCU5 5/20 0.44
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL24520252 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24520256 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24548567 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9810413 0.85 MEN1 (0.44) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL9810598 0.85 MEN1 (0.44) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL28380069 0.84 KMT2A (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10619746 0.82 MEN1 (0.40) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL10619751 0.82 MEN1 (0.40) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL1068201 0.82 MEN1 (0.40) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL10622319 0.82 MEN1 (0.40) MEN1NPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284084-B1 INTENSELY SWEET L-ASPARTYL-3-(BICYCLOALKYL)-L-ALANINE ALKYL ESTERS THE COCA-COLA COMPANY (US) 1991-06-26 EP disclosed
US-4788069-A SWEETENING EDIBLE FOODS AND BEVERAGES THE COCA-COLA COMPANY (US) 1988-11-29 US disclosed
WO-1988007522-A1 INTENSELY SWEET L-ASPARTYL-3-(BICYCLOALKYL)-L-ALANINE ALKYL ESTERS THE COCA-COLA COMPANY (US) 1988-10-06 WO disclosed
EP-0284084-A2 Intensely sweet L-aspartyl-3-(Bicycloalkyl)-L-alanine alkyl esters THE COCA-COLA COMPANY (US) 1988-09-28 EP disclosed