SCHEMBL7286167

SCHEMBL7286167

COc1ccc(CCNC(=O)CCCCC(=O)NCCc2ccc(OC)c(OC)c2CCc2cccc(C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SLC2A1 P11166 1/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
LMNA P02545 2/20 0.52
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL7295690 0.94 SLC2A1 (0.57) ALDH1A1SLC2A1MEN1KMT2AMAPT
SCHEMBL7294302 0.93 SLC2A1 (0.64) ALDH1A1SLC2A1MEN1KMT2AMAPT
SCHEMBL7292845 0.92 SLC2A1 (0.65) ALDH1A1SLC2A1MEN1KMT2AMAPT
SCHEMBL7274466 0.91 ALDH1A1 (0.59) ALDH1A1SLC2A1MEN1KMT2AMAPT
SCHEMBL7286000 0.91 MEN1 (0.60) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7285826 0.90 SLC2A1 (0.56) ALDH1A1SLC2A1MEN1KMT2AMAPT
SCHEMBL7286147 0.90 SLC2A1 (0.58) ALDH1A1SLC2A1MEN1KMT2AMAPT
SCHEMBL7293563 0.89 SLC2A1 (0.65) SLC2A1MEN1KMT2AHDAC1HDAC6
SCHEMBL7294870 0.88 SLC2A1 (0.70) SLC2A1MEN1KMT2ASMN1; SMN2MTNR1A
SCHEMBL7433595 0.87 SLC2A1 (0.72) SLC2A1MEN1KMT2AHDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
US-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 US disclosed