SCHEMBL24804881

SCHEMBL24804881

CC(C)C(=O)NC(CCCNC(N)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.49
▸ NOD1 Q9Y239 3/20 0.43
▸ FOLH1 Q04609 4/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ GNPAT O15228 1/20 0.41
▸ SHMT1 P34896 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ECE1 P42892 1/20 0.38
▸ CPB2 Q96IY4 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ PGGT1B P53609 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL2115693 0.89 NOD1 (0.54) C3AR1NOD1FOLH1CTDSP1GNPAT
SCHEMBL3818717 0.89 NOD1 (0.54) C3AR1NOD1FOLH1CTDSP1GNPAT
SCHEMBL17104376 0.88 NPY4R (0.42) C3AR1NOD1FOLH1GNPAT
SCHEMBL12222096 0.88 C3AR1 (0.47) C3AR1NOD1FOLH1CTDSP1GNPAT
SCHEMBL17104378 0.88 NPY4R (0.42) C3AR1NOD1FOLH1GNPAT
SCHEMBL25875020 0.88 C3AR1 (0.47) C3AR1NOD1FOLH1CTDSP1GNPAT
SCHEMBL11913625 0.88 C3AR1 (0.47) C3AR1NOD1FOLH1CTDSP1GNPAT
SCHEMBL29359380 0.86 C3AR1 (0.46) C3AR1NOD1FOLH1CTDSP1GNPAT
SCHEMBL30193452 0.86 NOD1 (0.52) C3AR1NOD1FOLH1CTDSP1GNPAT
SCHEMBL16862522 0.86 C3AR1 (0.46) C3AR1NOD1FOLH1CTDSP1GNPAT

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
WO-2022266753-A1 BIVALENT COMPOUNDS, CONJUGATES AND USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-12-29 — — WO disclosed
Send feedback