SCHEMBL4422604

SCHEMBL4422604

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 2/20 0.38
RAF1 P04049 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
HDAC4 P56524 2/20 0.34

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
SCHEMBL4422602 1.00 KMT2A (0.43) KMT2AMEN1POLBNR1H4HPGD
SCHEMBL4184527 0.84 CTSL (0.41) KMT2AMEN1POLBNR1H4HPGD
SCHEMBL4184524 0.84 CTSL (0.41) KMT2AMEN1POLBNR1H4HPGD
SCHEMBL4170215 0.81 NR1H4 (0.37) KMT2AMEN1POLBNR1H4RAF1
SCHEMBL4170205 0.81 NR1H4 (0.37) KMT2AMEN1POLBNR1H4RAF1
SCHEMBL4186055 0.81 NR1H4 (0.37) KMT2AMEN1POLBNR1H4RAF1
SCHEMBL4170213 0.81 NR1H4 (0.37) KMT2AMEN1POLBNR1H4RAF1
SCHEMBL4186051 0.81 NR1H4 (0.37) KMT2AMEN1POLBNR1H4RAF1
SCHEMBL4169691 0.80 NR1H4 (0.36) KMT2AMEN1POLBNR1H4RAF1
SCHEMBL4174564 0.80 NR1H4 (0.36) KMT2AMEN1POLBNR1H4RAF1

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