SCHEMBL2034426

SCHEMBL2034426

C[C@H](Nc1cccnc1)C(=O)O.N[C@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC7A5 Q01650 4/20 0.48
PKM P14618 2/20 0.48
ALPI P09923 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
GPR132 Q9UNW8 1/20 0.46
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.43
NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL2035250 1.00 TBXAS1 (0.48) TBXAS1CYP1A2CYP3A4CYP2C9CYP2D6
Dl-Phenylalanine SCHEMBL28957563 0.95 PKM (0.55) TBXAS1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL29417369 0.85 FDPS (0.54) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL30801039 0.85 SLC7A5 (0.65) TBXAS1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL29432890 0.85 SLC7A5 (0.65) TBXAS1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL44077 0.85 FDPS (0.54) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL503440 0.85 FDPS (0.54) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL124364 0.85 SLC7A5 (0.65) TBXAS1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL124365 0.85 SLC7A5 (0.65) TBXAS1CYP1A2CYP3A4CYP2C9HSD17B10
SCHEMBL5056888 0.85 SLC7A5 (0.65) TBXAS1CYP1A2CYP3A4CYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110236429-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-09-29 US disclosed
US-20110150917-A1 Small Cationic Antimicrobial Peptides THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-06-23 US disclosed
WO-2008151434-A1 SMALL CATIONIC ANTIMICROBIAL PEPTIDES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2008-12-18 WO disclosed