SCHEMBL4459320

SCHEMBL4459320

C=C(OC)C1Cc2ccc(Cl)cc2CN1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.40
HDAC8 Q9BY41 3/20 0.40
MMP8 P22894 2/20 0.40
MMP3 P08254 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
NR1D1 P20393 1/20 0.38
SLC6A15 Q9H2J7 1/20 0.38
PREP P48147 1/20 0.38
DPP4 P27487 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL32677156 0.88 PTPN1 (0.51) PTPN1HDAC8MMP8MMP3NPSR1
SCHEMBL32676714 0.88 PTPN1 (0.51) PTPN1HDAC8MMP8MMP3NPSR1
SCHEMBL29798976 0.88 PTPN1 (0.51) PTPN1HDAC8MMP8MMP3NPSR1
SCHEMBL2730308 0.88 PTPN1 (0.51) PTPN1HDAC8MMP8MMP3NPSR1
SCHEMBL8736850 0.86 POLB (0.41) PTPN1HDAC8NPSR1MAPTPOLB
SCHEMBL32676857 0.84 PTPN1 (0.46) PTPN1NPSR1POLBMEN1KMT2A
SCHEMBL32677157 0.84 PTPN1 (0.46) PTPN1NPSR1POLBMEN1KMT2A
SCHEMBL21902981 0.82 POLB (0.38) PTPN1HDAC8MMP8MMP3NPSR1
SCHEMBL15054567 0.81 POLB (0.51) POLBTDP1L3MBTL1
SCHEMBL15054569 0.81 POLB (0.51) POLBTDP1L3MBTL1

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-2012058065-A1 BORONATES AS ARGINASE INHIBITORS MARS INCORPORATED (US) 2012-05-03 WO disclosed