SCHEMBL28973296

SCHEMBL28973296

CC(O)CNC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.65
KDM4E B2RXH2 1/20 0.64
APAF1 O14727 1/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
RECQL P46063 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALOX15 P16050 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.61
ECE1 P42892 8/20 0.60
ITGB2 P05107 2/20 0.60
ICAM1 P05362 2/20 0.60
ITGAL P20701 2/20 0.60
MME P08473 1/20 0.59

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
SCHEMBL11589471 1.00 ACE (0.65) ACEKDM4EAPAF1POLBMAPT
SCHEMBL3848913 0.91 ACE (0.67) ACEKDM4EAPAF1POLBMAPT
SCHEMBL3851280 0.91 ACE (0.67) ACEKDM4EAPAF1POLBMAPT
SCHEMBL9924202 0.88 ALOX15 (0.61) ACEKDM4EAPAF1POLBMAPT
SCHEMBL8710928 0.87 SMN1; SMN2 (0.68) ACEKDM4EAPAF1POLBMAPT
SCHEMBL8710933 0.87 SMN1; SMN2 (0.68) ACEKDM4EAPAF1POLBMAPT
SCHEMBL6010110 0.86 SMN1; SMN2 (0.60) ACEKDM4EAPAF1POLBMAPT
SCHEMBL6010119 0.86 SMN1; SMN2 (0.60) ACEKDM4EAPAF1POLBMAPT
SCHEMBL30575013 0.86 ALOX15 (0.62) ACEKDM4EAPAF1POLBMAPT
SCHEMBL29072471 0.86 ALOX15 (0.62) ACEKDM4EAPAF1POLBMAPT

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
CN-115850149-A Amino acid derivative with bitter taste inhibiting effect and preparation method thereof 华南理工大学 2023-03-28 CN claimed
CN-115850149-B Amino acid derivative with bitter suppressing effect and preparation method thereof 华南理工大学 2024-04-26 CN disclosed
CN-115850149-A Amino acid derivative with bitter taste inhibiting effect and preparation method thereof 华南理工大学 2023-03-28 CN disclosed
CN-115850149-A Amino acid derivative with bitter taste inhibiting effect and preparation method thereof 华南理工大学 2023-03-28 CN disclosed