SCHEMBL27488705

SCHEMBL27488705

O=C(C=COCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.53
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
AKT1 P31749 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
MAOB P27338 3/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
LMNA P02545 2/20 0.47
PLIN1 O60240 1/20 0.47
BCHE P06276 1/20 0.47
TNFRSF1A P19438 1/20 0.47
ACHE P22303 1/20 0.47
PLIN5 Q00G26 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
RAB9A P51151 3/20 0.46
CYP3A4 P08684 2/20 0.46

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
SCHEMBL5363575 0.83 HCAR2 (0.59) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5363573 0.83 HCAR2 (0.59) KMT2ATDP1SLC6A2SLC6A3LMNA
Hydrochloric Acid SCHEMBL5352171 0.81 HCAR2 (0.58) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5352165 0.80 ALDH1A1 (0.53) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3463121 0.80 HCAR2 (0.47) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10275628 0.80 AKT1 (0.54) GPR52KMT2ATDP1AKT1MAOB
SCHEMBL5766428 0.80 ALDH1A1 (0.53) KMT2ATDP1SLC6A2SLC6A3MAOB
SCHEMBL10439177 0.80 AKT1 (0.54) GPR52KMT2ATDP1AKT1MAOB
SCHEMBL10275631 0.80 AKT1 (0.54) GPR52KMT2ATDP1AKT1MAOB
SCHEMBL26228656 0.80 ALDH1A1 (0.53) KMT2ATDP1SLC6A2SLC6A3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1181090-C Aspartyl dipeptide ester derivatives and sweeteners ֮����ʽ���� 2004-12-22 CN disclosed
CN-1296493-A Aspartyl dipeptide ester derivatives and sweeteners AJINOMOTO KK (JP) 2001-05-23 CN disclosed