SCHEMBL2912406

SCHEMBL2912406

COC(=O)c1cc(N2C(=O)CCNC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 2/20 0.32
MYC P01106 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS2 P35354 1/20 0.31
PARP1 P09874 1/20 0.31
GAA P10253 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2907825 0.87 ALDH1A1 (0.34) ALDH1A1USP2MAPTMEN1KMT2A
SCHEMBL2907963 0.87 GLRA3 (0.38) ALDH1A1CA1CA12CA9MEN1
SCHEMBL2912963 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2916134 0.79 MEN1 (0.34) MEN1KMT2A
SCHEMBL2914123 0.78 MEN1 (0.33) ALDH1A1USP2MEN1KMT2A
SCHEMBL2915264 0.78 MAOB (0.37) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2913419 0.78 ADORA2A (0.42) ALDH1A1USP2MAPTMEN1KMT2A
SCHEMBL2913166 0.77 XDH (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2910683 0.77 ALDH1A1 (0.36) ALDH1A1MAPTCA1CA2CA9
SCHEMBL2908073 0.76 NR1H4 (0.47) MEN1KMT2A

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