SCHEMBL5884014

SCHEMBL5884014

CC(C(=O)O)N(C(C)C(=O)O)C(C)C(=O)O.[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
SLC7A5 Q01650 2/20 0.36
GABRR1 P24046 2/20 0.32
RNPEP Q9H4A4 1/20 0.32
CYP1A2 P05177 1/20 0.32
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL163127 0.97 TP53 (0.47) TP53SLC7A5GABRR1RNPEPCYP1A2
Ammonia Solution, Strong SCHEMBL10538943 0.93 TP53 (0.44) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL11581750 0.84 TP53 (0.42) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL7715782 0.84 TP53 (0.42) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL28402735 0.84 TP53 (0.42) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL5435353 0.83 TP53 (0.36) TP53SLC7A5GABRR1
SCHEMBL186680 0.81 TP53 (0.47) TP53SLC7A5TSHR
SCHEMBL563770 0.81 TP53 (0.47) TP53SLC7A5TSHR
SCHEMBL9567581 0.81 TP53 (0.35) TP53
SCHEMBL9567592 0.81 TP53 (0.35) TP53

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-7052536-B2 Water-based ink SEIKO EPSON CORPORATION (JP) 2006-05-30 US disclosed