SCHEMBL5200738

SCHEMBL5200738

Cc1cc(C)cc(Cc2c(C(C)C)c(=O)[nH]c(=O)n2COCCCN(OC(=O)Oc2ccccc2)C(=O)Oc2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RECQL P46063 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
UPP1 Q16831 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL5199090 0.86 UPP1 (0.32) ALDH1A1L3MBTL1TDP1UPP1
SCHEMBL5198843 0.78 UPP1 (0.35) ALDH1A1UPP1
SCHEMBL2793543 0.76 UPP1 (0.41) RECQLBLMUPP1
SCHEMBL23752310 0.73 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL7258543 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7260757 0.72 ALDH1A1 (0.36) ALDH1A1L3MBTL1POLBUPP1
SCHEMBL6302823 0.71 UPP1 (0.34) ALDH1A1UPP1
SCHEMBL7255129 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7258815 0.69 MEN1 (0.33) ALDH1A1POLB
SCHEMBL7756562 0.69 TSHR (0.37) ALDH1A1

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-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