SCHEMBL20113003

SCHEMBL20113003

C#CCCC(=O)NCCCC[C@@H](C)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP2 P42575 1/20 0.39
TP53 P04637 1/20 0.39
NAAA Q02083 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35

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
SCHEMBL23330997 0.88 DPP7 (0.38) L3MBTL1ALDH1A1CASP2NAAAMEN1
SCHEMBL254806 0.86 L3MBTL1 (0.43) L3MBTL1ALDH1A1CASP2NAAAMEN1
SCHEMBL868573 0.83 OTC (0.50) DPP7
SCHEMBL868574 0.83 OTC (0.50) DPP7
SCHEMBL23330799 0.80 ALB (0.41) L3MBTL1ALDH1A1CASP2NAAAMEN1
SCHEMBL23771992 0.80 ALB (0.36) L3MBTL1ALDH1A1CASP2NAAAMEN1
SCHEMBL16691386 0.80 CASP2 (0.61) ALDH1A1CASP2TP53NAAAMEN1
SCHEMBL23330800 0.80 ALB (0.42) L3MBTL1ALDH1A1CASP2NAAAMEN1
SCHEMBL20751442 0.79 SLC6A5 (0.48) ALDH1A1CASP2TP53NAAAMEN1
SCHEMBL14682756 0.79 L3MBTL1 (0.36) L3MBTL1CASP2TSHR

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
EP-2438174-B1 METHOD FOR INCORPORATING ALIPHATIC AMINO ACIDS COMPRISING ALKYNE, AZIDE OR ALIPHATIC KETONE FUNCTIONAL GROUPS USING APPROPRIATE tRNA/tRNA SYNTHASE PAIRS MEDICAL RES COUNCIL (GB) 2018-05-02 EP disclosed