SCHEMBL5519103

SCHEMBL5519103

COC1CCNC(C(=O)O)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
ALOX15 P16050 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
ARG1 P05089 1/20 0.44
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL5762804 0.98 CYP1A2 (0.44) CYP1A2ALOX15CYP2C19MEN1ALDH1A1
SCHEMBL10151351 0.83 PIM2 (0.38) CYP1A2ALOX15CYP2C19ALDH1A1KMT2A
SCHEMBL21035123 0.83 PIM2 (0.38) CYP1A2ALOX15CYP2C19ALDH1A1KMT2A
SCHEMBL15206338 0.83 PIM2 (0.38) CYP1A2ALOX15CYP2C19ALDH1A1KMT2A
SCHEMBL15206340 0.83 PIM2 (0.38) CYP1A2ALOX15CYP2C19ALDH1A1KMT2A
SCHEMBL30066149 0.80 GRIN2D (0.41) CYP1A2ALOX15CYP2C19MEN1ALDH1A1
SCHEMBL689400 0.80 CYP2D6 (0.52) CYP1A2ALOX15CYP2C19MEN1THRB
SCHEMBL7361978 0.80 CYP2D6 (0.52) CYP1A2ALOX15CYP2C19MEN1THRB
SCHEMBL7338708 0.80 CYP2D6 (0.52) CYP1A2ALOX15CYP2C19MEN1THRB
SCHEMBL7338717 0.80 CYP2D6 (0.52) CYP1A2ALOX15CYP2C19MEN1THRB

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