SCHEMBL8860802

SCHEMBL8860802

Cc1ccc(S(=O)(=O)OCC2CN(c3cccc(F)c3)C(=O)O2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
FADS1 O60427 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL8594767 1.00 GRM2 (0.55) GRM2MAOAMAOBFADS1ALDH1A1
SCHEMBL3181922 0.86 GRM2 (0.60) GRM2MAOAMAOBFADS1
SCHEMBL4163689 0.86 GRM2 (0.60) GRM2MAOAMAOBFADS1
SCHEMBL14490010 0.81 GRM2 (0.47) GRM2MAOAMAOBFADS1
SCHEMBL12317752 0.80 MAOB (0.64) GRM2MAOAMAOBALDH1A1
SCHEMBL2464074 0.80 MAOB (0.64) GRM2MAOAMAOBALDH1A1
SCHEMBL20295918 0.79 MAOB (0.47) GRM2MAOAMAOBALDH1A1CYP3A4
SCHEMBL18410743 0.79 MAOB (0.47) GRM2MAOAMAOBALDH1A1CYP3A4
SCHEMBL18396773 0.79 GRM2 (0.43) GRM2MAOAMAOBALDH1A1CYP3A4
SCHEMBL18410699 0.79 GRM2 (0.43) GRM2MAOAMAOBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654435-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 1997-08-05 US disclosed
US-5654428-A BACTERICIDES PHARMACIA & UPJOHN COMPANY (US) 1997-08-05 US disclosed
EP-0610265-B1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS UPJOHN CO (US) 1996-12-27 EP disclosed
US-5565571-A BACTERICIDES THE UPJOHN COMPANY (US) 1996-10-15 US disclosed
US-5523403-A Tropone-substituted phenyloxazolidinone antibacterial agents THE UPJOHN COMPANY (US) 1996-06-04 US disclosed
EP-0673370-A1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1995-09-27 EP disclosed
EP-0610265-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1994-08-17 EP disclosed
WO-1994013649-A1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1994-06-23 WO disclosed
WO-1993009103-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1993-05-13 WO disclosed