SCHEMBL2912963

SCHEMBL2912963

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccccc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
BCL2 P10415 2/20 0.39
LMNA P02545 1/20 0.38
CFTR P13569 5/20 0.38
HSPD1 P10809 1/20 0.38
HSPE1 P61604 1/20 0.38
AHR P35869 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ITGA4 P13612 1/20 0.37
RBP4 P02753 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
BCL2L1 Q07817 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2910190 0.89 GPR27 (0.42) MEN1KMT2A
SCHEMBL2908073 0.89 NR1H4 (0.47) L3MBTL1ITGA4CNR1CNR2MEN1
SCHEMBL2913446 0.88 ALDH1A1 (0.36) ALDH1A1BCL2LMNACFTRL3MBTL1
SCHEMBL2913166 0.88 XDH (0.38) ALDH1A1LMNACFTRL3MBTL1ITGA4
SCHEMBL2910683 0.85 ALDH1A1 (0.36) ALDH1A1LMNACFTRL3MBTL1ITGA4
SCHEMBL2910291 0.85 CNR2 (0.38) ALDH1A1LMNACFTRCNR2BCL2L1
SCHEMBL2910962 0.84 RAB9A (0.39) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL2913556 0.84 NPC1 (0.46) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL2913996 0.84 CA1 (0.43) ALDH1A1LMNACFTRMEN1KMT2A
SCHEMBL2906969 0.84 ALDH1A1 (0.36) ALDH1A1LMNAL3MBTL1ITGA4MEN1

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