SCHEMBL4697247

SCHEMBL4697247

CCOC(=O)CC(=O)CC(O)(CCc1cc(CC)nc(CC)c1)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 3/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
SYK P43405 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE2A O00408 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
SCHEMBL12827205 1.00 KMT2A (0.36) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL3437561 0.91 PTGDR (0.33) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL12748354 0.91 KMT2A (0.34) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL12748374 0.87 SYK (0.32) SYK
SCHEMBL14596706 0.85 PTGDR (0.35) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL3437747 0.84 THRA (0.33) SYK
SCHEMBL1464148 0.84 THRA (0.33) SYK
SCHEMBL12344015 0.73 ALDH1A1 (0.33) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL12341148 0.73 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL13964139 0.73 RAB9A (0.40) KMT2AMEN1HPGDALDH1A1KDM4E

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-1928878-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC. (US) 2008-06-11 EP disclosed
WO-2007023381-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC. (US) 2007-03-01 WO disclosed