SCHEMBL9810355

SCHEMBL9810355

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
EPHX2 P34913 2/20 0.33
P2RX7 Q99572 1/20 0.33
HPGD P15428 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
ATM Q13315 1/20 0.33
EPHX1 P07099 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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 0.83 MEN1 (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL9810413 0.83 MEN1 (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL24548567 0.80 GRIN2D (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL24520256 0.80 GRIN2D (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL24520252 0.80 GRIN2D (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL9810409 0.80 GRIN2D (0.44) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL11603644 0.79 MEN1 (0.41) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL22552897 0.75 MEN1 (0.38) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL22552896 0.75 MEN1 (0.38) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL22552663 0.75 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