SCHEMBL1639665

SCHEMBL1639665

CC1=CCC(C(=O)OCC2CO2)C(C(=O)OCC2CO2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.36
MGLL Q99685 3/20 0.36
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 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
SCHEMBL11248916 0.81 CA1 (0.45) CA1CA2ALDH1A1POLBCASP6
SCHEMBL1196453 0.81 CA1 (0.45) CA1CA2ALDH1A1POLBCASP6
SCHEMBL427932 0.77 TP53 (0.65) TP53CYP3A4ALDH1A1HTTMGLL
SCHEMBL1196279 0.77 CA1 (0.43) CA1CA2ALDH1A1POLBCASP6
SCHEMBL1196002 0.76 CA1 (0.42) TP53CA1CA2ALDH1A1POLB
SCHEMBL1473473 0.75 TP53 (0.46) TP53CYP3A4ALDH1A1MGLL
SCHEMBL1195373 0.75 CA1 (0.41) CA1CA2ALDH1A1POLBCASP6
SCHEMBL19278916 0.75 POLB (0.44) TP53CYP3A4CA1CA2ALDH1A1
SCHEMBL5531100 0.74 POLB (0.45) CYP3A4CA1CA2ALDH1A1POLB
SCHEMBL5516744 0.73 CA1 (0.41) TP53CYP3A4CA1CA2ALDH1A1

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
US-8536242-B2 Photocurable composition SEKISUI CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-20110097669-A1 PHOTOCURABLE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed