SCHEMBL6534715

SCHEMBL6534715

CC(C(=O)O)C(N)(CN)C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.41
SLC7A5 Q01650 2/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31

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
SCHEMBL6668938 0.70
SCHEMBL17047147 0.70
SCHEMBL9440534 0.70
Hydrochloric Acid SCHEMBL6534717 0.70 NOS1 (0.35) KDM4E
Phosphoric Acid SCHEMBL14782285 0.70 FDPS (0.39) GABRR1
Hydrochloric Acid SCHEMBL7356462 0.69 ALDH1A1 (0.39) GABRR1SLC7A5TP53KDM4E
SCHEMBL28952597 0.69
SCHEMBL28893204 0.68 GABRR1 (0.34) GABRR1SLC7A5TP53
SCHEMBL530290 0.67 ALDH1A1 (0.30)
SCHEMBL7772001 0.67 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5211883-A Amidoamine type amphoteric surfactant, a modified silicone and a specific polymer KAO CORPORATION (JP) 1993-05-18 US claimed
CN-109306238-A Polyurethane coating composition, cured coating film and resin component 日油株式会社 2019-02-05 CN disclosed
EP-0941120-A4 BRANCHED PEPTIDE LINKERS BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
EP-0941120-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-15 EP disclosed
WO-1998019705-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 WO disclosed