SCHEMBL30863359

SCHEMBL30863359

CC(=O)NC(=O)[C@@H](NC(C)=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ CRBN Q96SW2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TAS2R38 P59533 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ NFKB1 P19838 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
SCHEMBL12859785 0.81 ADAM17 (0.44) KMT2AMEN1DPP4DPP8DPP9
SCHEMBL18924556 0.81 ADAM17 (0.44) KMT2AMEN1DPP4DPP8DPP9
SCHEMBL27461459 0.79 KMT2A (0.39) KMT2AMEN1SMN1; SMN2DPP4DPP8
SCHEMBL27461458 0.79 KMT2A (0.39) KMT2AMEN1SMN1; SMN2DPP4DPP8
SCHEMBL7766358 0.77 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL19116414 0.77 CYP3A4 (0.39) KMT2AMEN1SMN1; SMN2DPP4DPP8
SCHEMBL7360600 0.77 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL15368410 0.77 DPP4 (0.43) KMT2AMEN1SMN1; SMN2DPP4DPP8
SCHEMBL8130071 0.77 DPP4 (0.43) KMT2AMEN1SMN1; SMN2DPP4DPP8
SCHEMBL13018857 0.77 DPP4 (0.43) KMT2AMEN1SMN1; SMN2DPP4DPP8

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
CN-117658864-A Preparation method of key intermediate of sabatier 新天地医药技术研究院(郑州)有限公司 2024-03-08 — — CN disclosed
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