SCHEMBL1076502

SCHEMBL1076502

N[C@@H](CC1=CC(=O)C=CC1=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.44
PKM P14618 2/20 0.44
PTGS1 P23219 2/20 0.44
ALPI P09923 1/20 0.44
XIAP P98170 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
USP2 O75604 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.41
HIF1A Q16665 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
RGS12 O14924 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41

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
SCHEMBL1781673 0.76 SLC7A5 (0.44) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL29280376 0.74 SLC7A5 (0.46) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL14441259 0.74 SLC7A5 (0.44) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL1640222 0.74 SLC7A5 (0.44) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4994581 0.74 SLC7A5 (0.46) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL5300667 0.74 SLC7A5 (0.44) SLC7A5PKMPTGS1ALPIXIAP
Acetic Acid SCHEMBL27291474 0.74 MAOA (0.42) PTGS1MAOAMAOBRECQLTDP1
SCHEMBL24269408 0.73 USP2 (0.43) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL29421912 0.73 SLC7A5 (0.43) SLC7A5PKMPTGS1ALPIXIAP
SCHEMBL4308097 0.73 SLC7A5 (0.41) SLC7A5PKMPTGS1ALPIXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10265644-B2 Enantioselective zwitterionic ion-exchange material UNIVERSITAET WIEN (AT) 2019-04-23 US disclosed
EP-2276567-B1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANGE MATERIAL UNIV WIEN (AT) 2019-04-10 EP disclosed
US-20160193547-A1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANGE MATERIAL UNIVERSITAET WIEN (AT) 2016-07-07 US disclosed
US-20110121229-A1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANGE MATERIAL UNIVERSITAET WIEN (AT) 2011-05-26 US disclosed
EP-2276567-A1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANEE MATERIAL Universität Wien (AT) 2011-01-26 EP disclosed
WO-2009137853-A1 ENANTIOSELECTIVE ZWITTERIONIC ION-EXCHANEE MATERIAL Universität Wien (AT) 2009-11-19 WO disclosed