SCHEMBL5198809

SCHEMBL5198809

CCc1c(Cc2cc(C)cc(C)c2)n(COCCCCOC(=O)c2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
MAT2A P31153 1/20 0.38
UPP1 Q16831 1/20 0.36
TK1 P04183 1/20 0.36
BCHE P06276 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5199124 0.84 UPP1 (0.37) UPP1
SCHEMBL5198534 0.83 UPP1 (0.38) TDP1UPP1ALDH1A1
SCHEMBL5197944 0.81 MEN1 (0.34) TDP1UPP1ALDH1A1
SCHEMBL5200101 0.81 SMN1; SMN2 (0.34) TDP1UPP1ALDH1A1
SCHEMBL5199239 0.81 UPP1 (0.44) UPP1
SCHEMBL5199090 0.80 UPP1 (0.32) TDP1UPP1LMNAALDH1A1
SCHEMBL6309399 0.78 KMT2A (0.36) TDP1ALDH1A1
SCHEMBL2107018 0.78 SMN1; SMN2 (0.36) TDP1UPP1ALDH1A1PDE3BPDE3A
SCHEMBL5199373 0.77 UPP1 (0.45) TDP1UPP1ALDH1A1PDE3BPDE3A
SCHEMBL7255873 0.77 ALDH1A1 (0.38) UPP1TK1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355887-B1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIV GENEVE (CH) 2007-08-15 EP disclosed
US-6911450-B1 Pyrimidine acyclonucleoside derivatives, preparation method and use thereof UNIVERSITE DE GENEVE (CH) 2005-06-28 US disclosed
EP-1355887-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2003-10-29 EP disclosed
WO-2002060880-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2002-08-08 WO disclosed