SCHEMBL6835385

SCHEMBL6835385

Cc1cccc(C[C@@H](CO)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
JAK2 O60674 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSS P25774 5/20 0.47
CTSK P43235 4/20 0.47
CTSB P07858 3/20 0.47
CTSL P07711 2/20 0.46
MAPK1 P28482 2/20 0.46
S1PR4 O95977 1/20 0.46
F2 P00734 1/20 0.46
TP53 P04637 1/20 0.46
XBP1 P17861 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APP P05067 3/20 0.45

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
SCHEMBL6835384 1.00 ATM (0.54) ATMJAK2LMNAHPGDHTT
SCHEMBL4859984 0.86 CTSS (0.61) ATMCTSSCTSKCTSBCTSL
SCHEMBL4859989 0.86 CTSS (0.61) ATMCTSSCTSKCTSBCTSL
SCHEMBL14870431 0.86 ATM (0.53) ATMCTSSCTSKCTSBCTSL
SCHEMBL13905628 0.86 CTSL (0.61) ATMCTSSCTSKCTSBCTSL
SCHEMBL10324438 0.86 CTSS (0.61) ATMJAK2LMNAHPGDHTT
SCHEMBL28652921 0.86 ATM (0.53) ATMCTSSCTSKCTSBCTSL
SCHEMBL271855 0.85 ATM (0.71) ATMCTSSCTSKCTSBCTSL
SCHEMBL257912 0.85 ATM (0.71) ATMCTSSCTSKCTSBCTSL
SCHEMBL1529562 0.85 ATM (0.71) ATMCTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed