SCHEMBL19258989

SCHEMBL19258989

COC(=O)[C@H]1[C@H](C(=O)O)[C@@H]2C=C[C@H]1CCC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
APEX1 P27695 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
PPM1B O75688 1/20 0.49
PTPN1 P18031 1/20 0.49
PPP1CC P36873 1/20 0.49
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL16199077 1.00 POLB (0.57) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL6127597 1.00 POLB (0.57) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL15400698 1.00 POLB (0.57) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL16199396 1.00 POLB (0.57) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL9977663 1.00 POLB (0.57) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL22947121 0.92 POLB (0.68) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL1756841 0.92 POLB (0.68) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL22947120 0.92 POLB (0.68) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL1756845 0.92 POLB (0.68) POLBAPEX1TDP1PPM1BPTPN1
SCHEMBL26003315 0.92 POLB (0.68) POLBAPEX1TDP1PPM1BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133657-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed