SCHEMBL19388139

SCHEMBL19388139

COC(=O)[C@@H]1C2C=CC(O2)C1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 5/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
PTPN1 P18031 1/20 0.52
PPP1CC P36873 1/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10083154 1.00 PPM1B (0.56) PPM1BKMT2AMEN1PTPN1PPP1CC
SCHEMBL16788624 1.00 PPM1B (0.56) PPM1BKMT2AMEN1PTPN1PPP1CC
SCHEMBL16790508 1.00 PPM1B (0.56) PPM1BKMT2AMEN1PTPN1PPP1CC
SCHEMBL1008906 1.00 PPM1B (0.56) PPM1BKMT2AMEN1PTPN1PPP1CC
SCHEMBL2002666 0.92 PPM1B (0.44) PPM1BKMT2AMEN1PTPN1PPP1CC
SCHEMBL9696402 0.92 PPM1B (0.44) PPM1BKMT2AMEN1PTPN1PPP1CC
SCHEMBL2005428 0.92 PPM1B (0.44) PPM1BKMT2AMEN1PTPN1PPP1CC
SCHEMBL26844637 0.84 PPM1B (0.40) PPM1BKMT2AMEN1PTPN1PPP1CC
SCHEMBL3818435 0.83 PPM1B (0.50) PPM1BKMT2AMEN1ALDH1A1KDM4E
SCHEMBL238046 0.83 PPM1B (0.50) PPM1BKMT2AMEN1ALDH1A1KDM4E

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
US-9770511-B2 Protein transduction domains mimics UNIVERSITY OF MASSACHUSETTS (US) 2017-09-26 US disclosed