SCHEMBL29232995

SCHEMBL29232995

CCCCCCCCCCCCCCCCCCN[C@H](CC(N)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.50
EPHX1 P07099 5/20 0.41
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
ECE1 P42892 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
EPHX2 P34913 2/20 0.39
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39

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
SCHEMBL28909180 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1
SCHEMBL28471576 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1
SCHEMBL10927913 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1
SCHEMBL1990412 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1
SCHEMBL210540 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1
SCHEMBL10931833 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1
SCHEMBL10931822 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1
SCHEMBL11423025 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1
SCHEMBL10927907 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1
SCHEMBL28909179 1.00 NOD1 (0.50) NOD1EPHX1LMNAALOX15ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116573981-B Resolution method of beta receptor blocker raceme medicine 中南大学 2025-05-06 CN disclosed
CN-116573981-A Resolution method of beta receptor blocker raceme medicine 中南大学 2023-08-11 CN disclosed
CN-116375550-A Method for resolving racemate compound by enantioselective reverse micelle extraction 中南大学 2023-07-04 CN disclosed