SCHEMBL9417499

SCHEMBL9417499

CCCCCCCCOc1ccccc1NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NR1I2 O75469 1/20 0.54
LMNA P02545 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
MAPT P10636 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
EBP Q15125 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
CYSLTR2 Q9NS75 3/20 0.50
CYSLTR1 Q9Y271 3/20 0.50

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
SCHEMBL5509441 0.87 THRB (0.50) KMT2AMEN1LMNAMAPTHDAC6
SCHEMBL19034905 0.86 TDP1 (0.61) KMT2AMEN1LMNAMAPTTHRB
SCHEMBL5297530 0.83 L3MBTL1 (0.62) KMT2AMEN1LMNATHRBTDP1
SCHEMBL10490528 0.82 KMT2A (0.50) PTPN1KMT2AMEN1NR1I2LMNA
SCHEMBL10490472 0.82 KMT2A (0.50) PTPN1KMT2AMEN1NR1I2LMNA
SCHEMBL3197597 0.80 NPSR1 (0.59) PTPN1KMT2AMEN1LMNATHRB
SCHEMBL5516797 0.80 L3MBTL1 (0.56) KMT2AMEN1MAPTTHRBTDP1
SCHEMBL28760890 0.79 ALDH1A1 (0.51) PTPN1KMT2AMEN1NR1I2LMNA
SCHEMBL7952997 0.79 KMT2A (0.64) PTPN1KMT2AMEN1NR1I2LMNA
SCHEMBL14625066 0.79 KMT2A (0.64) PTPN1KMT2AMEN1NR1I2LMNA

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-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed