SCHEMBL3359140

SCHEMBL3359140

N[C@@H](Cc1ccccc1)C(=O)OC(=O)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GPR84 Q9NQS5 2/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.44
PKM P14618 2/20 0.44
ALPI P09923 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SLC15A1 P46059 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
LTA4H P09960 1/20 0.38
TYR P14679 2/20 0.38

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
Phenylalanine SCHEMBL3359136 0.81 SLC7A5 (0.59) MEN1KMT2AGPR84LMNAPKM
Dl-Phenylalanine SCHEMBL3359132 0.81 SLC7A5 (0.59) MEN1KMT2AGPR84LMNAPKM
SCHEMBL7369379 0.77 KMT2A (0.67) MEN1KMT2AGPR84LMNACYP1A2
SCHEMBL3234066 0.77 GPR84 (0.47) MEN1KMT2AGPR84LMNACYP1A2
SCHEMBL1191154 0.76 GPR84 (0.46) MEN1KMT2AGPR84LMNACYP1A2
SCHEMBL28820471 0.76 SLC7A5 (0.68) CYP1A2PKMALPIPTGS1XIAP
SCHEMBL8835936 0.76 SLC7A5 (0.68) CYP1A2PKMALPIPTGS1XIAP
SCHEMBL288607 0.76 SLC7A5 (0.68) CYP1A2PKMALPIPTGS1XIAP
SCHEMBL2638485 0.75 SLC7A5 (0.58) KMT2APKMALPIPTGS1XIAP
SCHEMBL299389 0.74 SLC7A5 (0.66) CYP1A2PKMALPIPTGS1XIAP

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
EP-2231622-A1 PREPARATIONS CONTAINING AMINO ACIDS AND OROTIC ACID Northern Innovations and Formulations Corp. (CA) 2010-09-29 EP disclosed
WO-2009076743-A1 PREPARATIONS CONTAINING AMINO ACIDS AND OROTIC ACID IOVATE T. & P. INC. (CA) 2009-06-25 WO disclosed