SCHEMBL16200527

SCHEMBL16200527

NOC(=O)[C@@H](N)COCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.59
TACR1 P25103 3/20 0.50
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
TSHR P16473 1/20 0.45
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44

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
SCHEMBL7419152 0.88 SLC1A1 (0.60) SLC1A1TACR1CA1CA2CA7
SCHEMBL7419155 0.88 SLC1A1 (0.60) SLC1A1TACR1CA1CA2CA7
Hydrochloric Acid SCHEMBL20996762 0.87 SLC1A1 (0.59) SLC1A1TACR1CA1CA2CA7
Hydrochloric Acid SCHEMBL11024444 0.87 SLC1A1 (0.59) SLC1A1TACR1CA1CA2CA7
Hydrochloric Acid SCHEMBL29556904 0.87 SLC1A1 (0.59) SLC1A1TACR1CA1CA2CA7
SCHEMBL1279255 0.85 SLC1A1 (0.57) SLC1A1TACR1CA1CA2CA7
SCHEMBL2389104 0.85 SLC1A1 (0.57) SLC1A1TACR1CA1CA2CA7
SCHEMBL2059074 0.85 SLC1A1 (0.57) SLC1A1TACR1CA1CA2CA7
SCHEMBL561330 0.84 SLC1A1 (0.73) SLC1A1TACR1CA1CA2CA7
SCHEMBL2037281 0.84 SLC1A1 (0.73) SLC1A1TACR1CA1CA2CA7

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-2796546-B1 Incorporation of unnatural amino acids SCRIPPS RESEARCH INST (US) 2017-08-09 EP disclosed
EP-2796546-A1 In vivo incorporation of unnatural amino acids The Scripps Research Institute (US) 2014-10-29 EP disclosed