SCHEMBL5198534

SCHEMBL5198534

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 0.97 UPP1 (0.37) UPP1
SCHEMBL5199239 0.93 UPP1 (0.44) UPP1
SCHEMBL5200101 0.89 SMN1; SMN2 (0.34) UPP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL5197713 0.88 MEN1 (0.32) UPP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL2107018 0.86 SMN1; SMN2 (0.36) UPP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL5197944 0.85 MEN1 (0.34) UPP1MEN1KMT2ATDP1ALDH1A1
SCHEMBL6309399 0.84 KMT2A (0.36) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL6302754 0.84 ALDH1A1 (0.33) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL5198843 0.84 UPP1 (0.35) UPP1ALDH1A1
SCHEMBL5198809 0.83 TDP1 (0.39) UPP1TDP1ALDH1A1

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