SCHEMBL8744900

SCHEMBL8744900

O=C(CCc1ccccc1)NCCCCCCCCCCNC(=O)CCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.81
L3MBTL1 Q9Y468 1/20 0.77
LMNA P02545 2/20 0.71
KDM4E B2RXH2 1/20 0.71
HDAC2 Q92769 4/20 0.71
HDAC8 Q9BY41 4/20 0.71
HDAC6 Q9UBN7 4/20 0.71
HDAC1 Q13547 3/20 0.71
TSHR P16473 1/20 0.71
TRPV1 Q8NER1 2/20 0.70
KEAP1 Q14145 1/20 0.68
NFE2L2 Q16236 1/20 0.68
GAA P10253 2/20 0.68
HDAC3 O15379 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
NCOR2 Q9Y618 2/20 0.66
MEN1 O00255 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64

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
SCHEMBL2101709 0.93 LMNA (0.77) HPGDL3MBTL1LMNAKDM4EHDAC2
SCHEMBL17589255 0.93 HPGD (0.72) HPGDL3MBTL1LMNAKDM4EHDAC2
SCHEMBL5933901 0.92 HPGD (0.97) HPGDL3MBTL1LMNAKDM4EHDAC2
SCHEMBL13287459 0.92 HPGD (0.97) HPGDL3MBTL1LMNAKDM4EHDAC2
SCHEMBL7778138 0.91 HPGD (0.74) HPGDL3MBTL1LMNAKDM4EHDAC2
Hydrochloric Acid SCHEMBL7769509 0.91 HPGD (0.68) HPGDL3MBTL1LMNAKDM4EHDAC2
SCHEMBL1233731 0.91 HDAC1 (0.83) HPGDL3MBTL1LMNAHDAC2HDAC8
SCHEMBL20385912 0.90 HPGD (0.72) HPGDL3MBTL1LMNAKDM4EHDAC2
SCHEMBL2187602 0.90 HPGD (1.00) HPGDL3MBTL1LMNAKDM4EHDAC2
SCHEMBL6289079 0.89 L3MBTL1 (0.72) HPGDL3MBTL1LMNAKDM4EHDAC2

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
EP-0754693-A2 Novel aminophenylphosphonic acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-01-22 EP disclosed