SCHEMBL5515741

SCHEMBL5515741

CCCCOC1CCNC(C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PRCP P42785 1/20 0.41
ARG1 P05089 1/20 0.40

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
SCHEMBL5517582 0.95 PRCP (0.43) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL5513411 0.85 MEN1 (0.41) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL18607675 0.84 CYP1A2 (0.42) ALDH1A1CYP1A2ALOX15CYP2C19ARG1
SCHEMBL30062834 0.84 CYP1A2 (0.42) ALDH1A1CYP1A2ALOX15CYP2C19ARG1
SCHEMBL11942388 0.84 CYP1A2 (0.42) ALDH1A1CYP1A2ALOX15CYP2C19ARG1
SCHEMBL5519558 0.84 MEN1 (0.40) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL5521666 0.83 MEN1 (0.45) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL5513405 0.81 MEN1 (0.43) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL5509161 0.78 MEN1 (0.40) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL10610345 0.78 THRB (0.54) MEN1ALDH1A1CYP1A2THRBALOX15

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
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
CN-1681832-A Lincomycin derivatives possessing antibacterial activity VICURON PHARM INC (US) 2005-10-12 CN disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed