SCHEMBL19630232

SCHEMBL19630232

C[C@H](NC(=O)OCc1ccccc1)[C@H](O)CC(=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
ELANE P08246 2/20 0.52
CTSS P25774 5/20 0.51
CTSL P07711 4/20 0.51
CTSK P43235 6/20 0.50
PRTN3 P24158 2/20 0.49
CTRB1 P17538 2/20 0.49
CTSB P07858 3/20 0.47

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
SCHEMBL21074227 1.00 ATM (0.52) ATMELANECTSSCTSLCTSK
SCHEMBL19615498 1.00 ATM (0.52) ATMELANECTSSCTSLCTSK
SCHEMBL19630209 1.00 ATM (0.52) ATMELANECTSSCTSLCTSK
SCHEMBL19615499 1.00 ATM (0.52) ATMELANECTSSCTSLCTSK
SCHEMBL10387100 0.89 ATM (0.54) ATMELANECTSSCTSLCTSK
SCHEMBL19615631 0.87 ELANE (0.53) ATMELANECTSSCTSLCTSK
SCHEMBL19615632 0.87 ELANE (0.53) ATMELANECTSSCTSLCTSK
SCHEMBL19615929 0.87 ELANE (0.53) ATMELANECTSSCTSLCTSK
SCHEMBL19615909 0.85 REN (0.56) CTSSCTSLCTSKCTSB
SCHEMBL19615907 0.85 REN (0.56) CTSSCTSLCTSKCTSB

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-2017198717-A1 FUSION PROTEINS COMPRISING AN ALDOLASE ENZYME JOINED TO A MALTOSE BINDING PROTEIN CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2017-11-23 WO disclosed