SCHEMBL22754646

SCHEMBL22754646

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ELANE P08246 2/20 0.54
CTSK P43235 5/20 0.52
CTRB1 P17538 2/20 0.51
PRTN3 P24158 2/20 0.51
CTSS P25774 5/20 0.50
CTSL P07711 4/20 0.50
CTSB P07858 3/20 0.50

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
SCHEMBL14396693 0.90 CTSS (0.55) ATMELANECTSKCTRB1PRTN3
SCHEMBL4394493 0.87 ATM (0.56) ATMELANECTSKCTRB1PRTN3
SCHEMBL2228854 0.87 ATM (0.56) ATMELANECTSKCTRB1PRTN3
SCHEMBL4394496 0.87 ATM (0.56) ATMELANECTSKCTRB1PRTN3
SCHEMBL937972 0.85 ATM (0.57) ATMELANECTSKCTRB1PRTN3
SCHEMBL937973 0.85 ATM (0.57) ATMELANECTSKCTRB1PRTN3
SCHEMBL7405303 0.84 CTRB1 (0.55) ATMELANECTSKCTRB1CTSS
SCHEMBL26798887 0.83 ATM (0.52) ATMELANECTSKCTRB1PRTN3
SCHEMBL16847744 0.83 ATM (0.52) ATMELANECTSKCTRB1PRTN3
SCHEMBL28931249 0.83 ATM (0.54) ATMELANECTSKCTRB1PRTN3

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-3082872-B1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2020-12-09 EP disclosed