SCHEMBL8145604

SCHEMBL8145604

CCCCOc1ccc2c(O)c(C(=O)NCCO)nc(Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.54
THRB P10828 10/20 0.54
EGLN1 Q9GZT9 6/20 0.54
EGLN2 Q96KS0 2/20 0.45
BBOX1 O75936 2/20 0.45
FTO Q9C0B1 2/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
CNR2 P34972 4/20 0.43
CNR1 P21554 2/20 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
SCHEMBL522745 0.88 THRA (0.70) THRATHRBEGLN1BBOX1FTO
SCHEMBL8134048 0.87 THRA (0.58) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL4071786 0.86 THRA (0.59) THRATHRBEGLN1BBOX1FTO
SCHEMBL522159 0.85 EGLN1 (0.56) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL522269 0.84 THRA (0.70) THRATHRBEGLN1BBOX1FTO
SCHEMBL4080190 0.83 BCHE (0.43) THRATHRBEGLN1CNR2CNR1
SCHEMBL8134005 0.83 THRA (0.50) THRATHRBEGLN1
SCHEMBL8148476 0.82 EGLN1 (0.53) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL522447 0.81 EGLN1 (0.51) THRATHRBEGLN1EGLN2BBOX1
SCHEMBL522867 0.80 THRA (0.64) THRATHRBEGLN1BBOX1FTO

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-6093730-A AN ENZYME INHIBITORS OF PROLYL-4-HYDROXYLASE FOR TREATING FIBROTIC DISORDERS AND INHIBITING COLLAGEN BIOSYNTHESIS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-07-25 US disclosed