SCHEMBL15741908

SCHEMBL15741908

CN[C@@H](CCC(=O)O)C(=O)O.C[C@H](NC1CCCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
FOLH1 Q04609 6/20 0.40
NAALAD2 Q9Y3Q0 2/20 0.40
RIMKLA Q8IXN7 1/20 0.40
GGH Q92820 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ANPEP P15144 1/20 0.35
ENPEP Q07075 1/20 0.35

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
SCHEMBL15741907 1.00 EPHX2 (0.43) EPHX2FOLH1NAALAD2RIMKLAGGH
SCHEMBL5313120 0.88 SMN1; SMN2 (0.36) EPHX2LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL5313119 0.88 SMN1; SMN2 (0.36) EPHX2LMNAALDH1A1CYP3A4CYP2D6
D-Glutamate SCHEMBL4777197 0.80 CYP1A2 (0.51) EPHX2LMNAALDH1A1SMN1; SMN2CYP1A2
Glutamic Acid SCHEMBL3738402 0.80 CYP1A2 (0.51) EPHX2LMNAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29501687 0.80 EPHX2 (0.53) EPHX2FOLH1NAALAD2RIMKLAGGH
SCHEMBL147120 0.79 SMN1; SMN2 (0.47) EPHX2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL147119 0.79 SMN1; SMN2 (0.47) EPHX2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL919280 0.79 SMN1; SMN2 (0.47) EPHX2ALDH1A1CYP3A4CYP2D6CYP2C9
Beta-Alanine SCHEMBL3503929 0.78 ALDH1A1 (0.44) EPHX2LMNAALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3472192-A1 SPIDER VENOM PEPTIDES AND METHODS OF USE FOR MODULATING SODIUM CHANNELS. The University of Queensland (AU) 2019-04-24 EP disclosed
EP-3411061-A1 PROTEINACEOUS COMPOUNDS AND USES THEREFOR University of Canberra (AU) 2018-12-12 EP disclosed
EP-3387007-A1 PROTEINACEOUS MOLECULES AND METHODS OF USE The University of Queensland (AU) 2018-10-17 EP disclosed
WO-2017219081-A1 SPIDER VENOM PEPTIDES AND METHODS OF USE FOR MODULATING SODIUM CHANNELS. THE UNIVERSITY OF QUEENSLAND (AU) 2017-12-28 WO disclosed
WO-2017132728-A1 PROTEINACEOUS COMPOUNDS AND USES THEREFOR UNIVERSITY OF CANBERRA (AU) 2017-08-10 WO disclosed
WO-2017096431-A1 PROTEINACEOUS MOLECULES AND METHODS OF USE THE UNIVERSITY OF QUEENSLAND (AU) 2017-06-15 WO disclosed
EP-2922862-A1 COMPLEX-FORMATION-MODULATING AGENTS AND USES THEREFOR Queensland University Of Technology (AU) 2015-09-30 EP disclosed
WO-2014078896-A1 COMPLEX-FORMATION-MODULATING AGENTS AND USES THEREFOR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2014-05-30 WO disclosed