SCHEMBL5509049

SCHEMBL5509049

CC(F)(F)CCCC1CNC(C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.53
CYP1A2 P05177 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL5510588 0.91 ARG1 (0.55) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL5520066 0.85 ARG1 (0.55) ARG1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL3787271 0.79 ARG1 (0.60) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL5511790 0.79 ARG1 (0.60) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL5197240 0.79 ARG1 (0.60) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL5510052 0.79 ARG1 (0.53) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL3780786 0.78 ARG1 (0.58) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL4867875 0.78 ARG1 (0.58) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL4872434 0.77 ARG1 (0.66) ARG1CYP1A2ALOX15CYP2C19CYP2D6
SCHEMBL24832759 0.75 ARG1 (0.54) ARG1CYP1A2ALOX15CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US claimed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-7164011-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-01-16 US disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed