SCHEMBL7362345

SCHEMBL7362345

CC(C)C(NC(=O)OC(C)(C)C)c1nccn1COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 10/20 0.48
PPARA Q07869 2/20 0.47
CTSS P25774 1/20 0.45
PPARG P37231 2/20 0.43
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
SYK P43405 1/20 0.40
ATM Q13315 2/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAPT P10636 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
SCHEMBL8876703 1.00 FPR2 (0.48) FPR2PPARACTSSPPARGKLK7
SCHEMBL7321491 0.84 PPARA (0.43) PPARACTSSPPARGKLK5
SCHEMBL10522492 0.83 KLK5 (0.46) PPARACTSSPPARGKLK7KLK5
SCHEMBL7369995 0.75 CTSK (0.40) CTSSLMNAMAPT
SCHEMBL7421623 0.75 OPRD1 (0.38) FPR2PPARACTSSMAPT
SCHEMBL16391249 0.74 FPR2 (0.47) FPR2LMNATSHRMAPT
SCHEMBL7357006 0.73 MAPT (0.40) LMNATSHRMAPT
SCHEMBL7412044 0.73 MAPT (0.49) CTSSATMMAPT
SCHEMBL9206954 0.73 PPARA (0.36) FPR2PPARACTSSPPARGMAPT
SCHEMBL9271702 0.72 MAPT (0.37) CTSSLMNATSHRMAPT

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
EP-0748313-A4 CYTOKINE INHIBITING IMIDAZOLE SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM CORP (US) 1997-06-11 EP disclosed
EP-0748313-A1 CYTOKINE INHIBITING IMIDAZOLE SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1996-12-18 EP disclosed
WO-1995023790-A1 CYTOKINE INHIBITING IMIDAZOLE SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1995-09-08 WO disclosed