SCHEMBL2910291

SCHEMBL2910291

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccccc2S(C)(=O)=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
CFTR P13569 10/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADRB3 P13945 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
AGTR1 P30556 1/20 0.37
MC4R P32245 1/20 0.37
PTGS2 P35354 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
PLA2G7 Q13093 1/20 0.34
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2913996 0.92 CA1 (0.43) CFTRADORA3ADRB3TBXA2RSLC6A2
SCHEMBL2913200 0.89 KDM4E (0.40) CNR2PABPC1EIF4HCFTRADORA3
SCHEMBL2912963 0.85 ALDH1A1 (0.42) CNR2CFTRMEN1KMT2AALDH1A1
SCHEMBL2913166 0.83 XDH (0.38) CFTRKDM4EMEN1KMT2AHTT
SCHEMBL2913446 0.81 ALDH1A1 (0.36) CFTRMEN1KMT2AHTTALDH1A1
SCHEMBL2908364 0.81 CA2 (0.41) CFTRKDM4EMEN1KMT2AHTT
SCHEMBL2910190 0.81 GPR27 (0.42) MEN1KMT2A
SCHEMBL2910683 0.80 ALDH1A1 (0.36) CFTRALDH1A1LMNARAB9ABCL2L1
SCHEMBL1530928 0.80 KDM4E (0.42) CNR2CFTRADORA3ADRB3TBXA2R
SCHEMBL2914837 0.80 KMT2A (0.41) KDM4EMEN1KMT2AHTTPLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed