SCHEMBL7472114

SCHEMBL7472114

CC(C)(C)OC(=O)C(NC(=N)N)c1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.38
TMPRSS15 P98073 3/20 0.38
TACR3 P29371 2/20 0.37
MIF P14174 1/20 0.37
LY96 Q9Y6Y9 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
TSHR P16473 1/20 0.35
FOLH1 Q04609 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL15962588 0.84 CTSS (0.49) MIFLY96ESR1ESR2ADRB2
SCHEMBL8601269 0.80 MIF (0.36) TACR3MIFLY96ESR1ESR2
SCHEMBL10993260 0.78 PEPD (0.38) TACR3ESR1ESR2TSHRFOLH1
SCHEMBL7467548 0.77 LY96 (0.53) LY96ESR1ESR2CTSSCTSK
SCHEMBL7469618 0.77 ESR1 (0.43) MIFLY96ESR1ESR2ADRB2
SCHEMBL10993256 0.77 PEPD (0.37) PRSS1TMPRSS15ESR1ESR2TSHR
SCHEMBL2582580 0.77 CTSS (0.48) TACR3MIFESR1ESR2CTSS
SCHEMBL1554126 0.77 CTSS (0.48) TACR3MIFESR1ESR2CTSS
SCHEMBL1554122 0.77 CTSS (0.48) TACR3MIFESR1ESR2CTSS
SCHEMBL11519796 0.77 CTSS (0.48) MIFCTSSCTSKFOLH1

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-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed