SCHEMBL7286378

SCHEMBL7286378

O=C(O)CCCCC(=O)NCCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
KDM5A P29375 3/20 0.50
PHF8 Q9UPP1 3/20 0.50
KDM2A Q9Y2K7 3/20 0.50
EPHX1 P07099 2/20 0.50
KDM4C Q9H3R0 2/20 0.50
KDM4A O75164 1/20 0.50
HPGD P15428 1/20 0.49
EPHX2 P34913 1/20 0.47
NMT1 P30419 4/20 0.47

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
SCHEMBL13618530 0.87 HPGD (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19059668 0.86 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24429263 0.84 FAAH (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21882669 0.83 KDM5A (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25911804 0.83 KDM5A (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21126395 0.82 NMT1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24882522 0.82 KDM5A (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21096969 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8051690 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19227335 0.81 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2

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 5 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
EP-0223598-A2 Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-05-27 EP disclosed