SCHEMBL7274157

SCHEMBL7274157

COc1ccc(CCNC(=O)CCCCC(=O)NCCc2ccccc2)c(CCc2ccccc2)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
SLC2A1 P11166 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
NCOR2 Q9Y618 2/20 0.52

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
SCHEMBL7274466 0.95 ALDH1A1 (0.59) HPGDSLC2A1MEN1KMT2ACYP1A2
SCHEMBL7273703 0.94 HPGD (0.56) HPGDSLC2A1MEN1KMT2ACYP1A2
SCHEMBL7286125 0.93 SLC2A1 (0.60) HPGDSLC2A1MEN1KMT2ACYP1A2
SCHEMBL7272560 0.93 MEN1 (0.55) HPGDMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7273951 0.92 HPGD (0.57) HPGDMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7279369 0.92 HPGD (0.57) HPGDSLC2A1MEN1KMT2ACYP1A2
SCHEMBL7295690 0.92 SLC2A1 (0.57) HPGDSLC2A1MEN1KMT2ACYP1A2
SCHEMBL7294870 0.92 SLC2A1 (0.70) HPGDSLC2A1MEN1KMT2ACYP1A2
SCHEMBL7445759 0.91 SLC2A1 (0.72) SLC2A1MEN1KMT2AHDAC1HDAC6
SCHEMBL7433595 0.91 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
US-4885313-A 3,4-Dihydroxyphenylethylamine derivatives and their use FISONS PLC (GB) 1989-12-05 US disclosed
US-4803225-A Dihydroxy-phenethylamino compounds useful as pharmaceuticals FISONS, PLC (GB) 1989-02-07 US disclosed
US-4720586-A Substituted 3,4-dihydroxy-phenylethylamino compounds FISONS, PLC (GB) 1988-01-19 US disclosed
EP-0142283-A2 Phenylethylamines, process for their preparation and compositions containing them FISONS plc (GB) 1985-05-22 EP disclosed