SCHEMBL11375489

SCHEMBL11375489

N[C@@H](C(=O)O)[C@@H](O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.51
ERAP2 Q6P179 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
TSHR P16473 1/20 0.50
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRM4 Q14833 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL31345747 0.85 SLC1A3 (0.49) ANPEPERAP2ERAP1TSHRSLC1A3
SCHEMBL20496943 0.85 SLC1A3 (0.49) ANPEPERAP2ERAP1TSHRSLC1A3
SCHEMBL27725657 0.85 TSHR (0.53) ANPEPERAP2ERAP1TSHRGRM8
SCHEMBL29254196 0.84 TSHR (0.56) ANPEPERAP2ERAP1TSHRLOXL2
SCHEMBL29254199 0.84 TSHR (0.56) ANPEPERAP2ERAP1TSHRLOXL2
SCHEMBL7358695 0.83 GRM8 (0.56) ANPEPERAP2ERAP1TSHRGRM8
SCHEMBL8092467 0.83 GRM8 (0.56) ANPEPERAP2ERAP1TSHRGRM8
SCHEMBL3097653 0.82 TSHR (0.61) ANPEPERAP2ERAP1TSHRLOXL2
SCHEMBL2561037 0.81 TSHR (0.56) ANPEPERAP2ERAP1TSHRGRM8
SCHEMBL4754818 0.81 TSHR (0.59) ANPEPERAP2ERAP1TSHRLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260743-A Preparation of β-lactams and intermediates therefor GIST-BROCADES N.V. (NL) 1981-04-07 US disclosed