SCHEMBL15670893

SCHEMBL15670893

N[C@@H](Cc1ccc(OC(=O)/C=C/c2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.61
BACE1 P56817 2/20 0.50
PCNA P12004 1/20 0.49
CA12 O43570 5/20 0.49
CA7 P43166 5/20 0.49
CA9 Q16790 5/20 0.49
CA14 Q9ULX7 5/20 0.49
CA1 P00915 4/20 0.49
AKR1B10 O60218 3/20 0.49
AKR1B1 P15121 3/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA5A P35218 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
MET P08581 1/20 0.49
KMT2A Q03164 2/20 0.48
PTPN1 P18031 1/20 0.47
PYGL P06737 1/20 0.46
MAOB P27338 1/20 0.46
ITGB3 P05106 1/20 0.46

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
SCHEMBL4613094 0.93 SLC7A5 (0.53) SLC7A5BACE1PCNACA12CA7
SCHEMBL14614090 0.86 TDP1 (0.59) SLC7A5CA12CA7CA9CA14
Tyrosine SCHEMBL15670892 0.85 SLC7A5 (0.71) SLC7A5BACE1PCNACA12CA7
SCHEMBL17261307 0.85 CA12 (0.49) BACE1CA12CA7CA9CA14
Tyrosine SCHEMBL17023915 0.84 SLC7A5 (0.69) SLC7A5BACE1PCNACA12CA7
SCHEMBL10020558 0.81 CA12 (0.54) SLC7A5BACE1CA12CA7CA9
Resveratrol SCHEMBL19209911 0.81 SLC7A5 (0.69) SLC7A5BACE1PCNACA12CA7
Resveratrol SCHEMBL19209910 0.81 SLC7A5 (0.69) SLC7A5BACE1PCNACA12CA7
SCHEMBL11370023 0.81 SLC7A5 (0.73) SLC7A5PCNAKMT2APTPN1ITGB3
SCHEMBL60228 0.81 SLC7A5 (0.73) SLC7A5PCNAKMT2APTPN1ITGB3

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-2914733-A1 VANILLIN SYNTHASE Evolva SA (CH) 2015-09-09 EP disclosed
WO-2014067534-A1 VANILLIN SYNTHASE EVOLVA SA (CH) 2014-05-08 WO disclosed