SCHEMBL4411730

SCHEMBL4411730

O=C(CNC(=O)O)Cc1cccc(C=Cc2c(Cl)cccc2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 4/20 0.39
ALDH1A1 P00352 1/20 0.39
RAF1 P04049 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
GLA P06280 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
GAA P10253 1/20 0.36
HDAC4 P56524 2/20 0.36
MEF2D Q14814 2/20 0.36
SHMT1 P34896 1/20 0.36

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
SCHEMBL4411726 1.00 POLB (0.45) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4183196 0.83 NR1H4 (0.38) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4183191 0.83 NR1H4 (0.38) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4166783 0.82 RAF1 (0.40) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4166787 0.82 RAF1 (0.40) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4422604 0.78 KMT2A (0.43) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4422602 0.78 KMT2A (0.43) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4659414 0.75 CTBP2 (0.54) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4185989 0.72 RAF1 (0.44) POLBKMT2AMEN1HPGDALDH1A1
SCHEMBL4185994 0.72 RAF1 (0.44) POLBKMT2AMEN1HPGDALDH1A1

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-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed