SCHEMBL8574685

SCHEMBL8574685

O=C(O)COc1cc(Br)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.59
TDP1 Q9NUW8 3/20 0.56
TSHR P16473 4/20 0.54
POLB P06746 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PTGDR Q13258 1/20 0.51
PPARD Q03181 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C19 P33261 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL3203787 0.86 TDP1 (0.70) PTGDR2TDP1TSHRPOLBCTDSP1
SCHEMBL64347 0.82 TDP1 (0.74) PTGDR2TDP1TSHRPTGDRMEN1
SCHEMBL2913823 0.82 LMNA (0.64) PTGDR2TDP1TSHRPTGDRMEN1
SCHEMBL5395902 0.81 MCL1 (0.68) TDP1TSHRPPARDKMT2ACYP2C19
SCHEMBL4684755 0.79 TDP1 (0.56) PTGDR2TDP1TSHRPOLBL3MBTL1
SCHEMBL21858385 0.79 PTGDR2 (0.62) PTGDR2TDP1TSHRPOLBCTDSP1
SCHEMBL3729834 0.79 PTGDR2 (0.62) PTGDR2TDP1TSHRPOLBL3MBTL1
SCHEMBL15897839 0.79 PTGDR2 (0.62) PTGDR2TDP1TSHRPOLBCTDSP1
SCHEMBL16742711 0.79 TDP1 (0.60) PTGDR2TDP1TSHRPOLBL3MBTL1
SCHEMBL1615073 0.79 PKM (0.70) PTGDR2TDP1TSHRPOLBCTDSP1

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-1998003464-A1 PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1998-01-29 WO disclosed