SCHEMBL9810413

SCHEMBL9810413

O=C(O)C(C[C@@H]1CC2CC[C@@H]1C2)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.39
EPHX2 P34913 2/20 0.36
HPGD P15428 2/20 0.35
P2RX7 Q99572 1/20 0.35
ATM Q13315 1/20 0.35
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9810598 1.00 MEN1 (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL24520252 0.85 GRIN2D (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL24520256 0.85 GRIN2D (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL24548567 0.85 GRIN2D (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL9810409 0.85 GRIN2D (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL11603644 0.83 MEN1 (0.41) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL9810355 0.83 MEN1 (0.41) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL22552661 0.79 MEN1 (0.38) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL22552663 0.79 MEN1 (0.38) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL22552897 0.79 MEN1 (0.38) MEN1NPC1RAB9AKMT2APOLB

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