SCHEMBL6178653

SCHEMBL6178653

CC(C)CN(C(=O)O)c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.44
ALDH1A1 P00352 1/20 0.43
CETP P11597 2/20 0.42
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL11404737 0.81 ALDH1A1 (0.52) LTB4R2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL14966591 0.81 CPN1 (0.39) ALDH1A1RAB9A
SCHEMBL4440953 0.78 LTB4R2 (0.43) LTB4R2ALDH1A1ACHERAB9AHPGD
SCHEMBL6827496 0.78 RAB9A (0.53) LTB4R2ALDH1A1CETPACHERAB9A
SCHEMBL6831433 0.76 LTB4R2 (0.54) LTB4R2CETPNR1H4RAB9AMEN1
SCHEMBL4089396 0.76 CHRM2 (0.52) LTB4R2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL4677800 0.75 LTB4R2 (0.50) LTB4R2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL20893265 0.75 CETP (0.43) ALDH1A1CETPSLC6A2SLC6A3
SCHEMBL4734260 0.74 LTB4R2 (0.64) LTB4R2ALDH1A1CETPNR1H4RAB9A
SCHEMBL5809314 0.74 LTB4R2 (0.41) LTB4R2ALDH1A1CETPACHERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229033-B1 2-Fluoro-(oxid-thiopyran-4-yl)benzene derivatives UPJOHN CO (US) 2005-04-20 EP disclosed
EP-1149089-B1 PROCESS TO PREPARE TETRAHYDROTHIOPYRAN-o-FLUORINATED CARBAMATES UPJOHN CO (US) 2003-03-26 EP disclosed
EP-1229033-A2 2-Fluoro-(oxid-thiopyran-4-yl)benzene derivatives PHARMACIA & UPJOHN COMPANY (US) 2002-08-07 EP disclosed
EP-1149089-A2 PROCESS TO PREPARE CYCLIC-SULFUR FLUORINE CONTAINING OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2001-10-31 EP disclosed
US-6239283-B1 BACTERICIDES; REACTING 4-ONE-TETRAHYDROTHIOPYRAN PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
WO-2000044741-A2 PROCESS TO PREPARE CYCLIC-SULFUR FLUORINE CONTAINING OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2000-08-03 WO disclosed