SCHEMBL7689720

SCHEMBL7689720

CCCOC(=O)CC(=O)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
MAPT P10636 4/20 0.52
TP53 P04637 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 4/20 0.47
EPHX2 P34913 5/20 0.46
LMNA P02545 2/20 0.45
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL1167517 0.88 ERCC5 (0.58) ERCC5FEN1MAPTKMT2AMEN1
SCHEMBL30409701 0.83 ERCC5 (0.63) ERCC5FEN1MAPTKMT2AMEN1
SCHEMBL2057210 0.83 ERCC5 (0.63) ERCC5FEN1MAPTKMT2AMEN1
SCHEMBL6057368 0.81 LMNA (0.64) MAPTTP53ALDH1A1HPGDLMNA
SCHEMBL9859579 0.81 SMN1; SMN2 (0.50) ERCC5FEN1MAPTKMT2AMEN1
SCHEMBL2375373 0.81 LMNA (0.62) ERCC5FEN1MAPTKMT2AMEN1
SCHEMBL26258777 0.81 HPGD (0.49) KMT2AALDH1A1HPGDKDM4E
SCHEMBL11791699 0.79 ERCC5 (0.76) ERCC5FEN1MAPTTP53KMT2A
SCHEMBL29962144 0.79 ERCC5 (0.76) ERCC5FEN1MAPTTP53KMT2A
SCHEMBL18648612 0.78 ERCC5 (0.57) ERCC5FEN1MAPTTP53ALDH1A1

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-6376521-B1 ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-23 US disclosed