SCHEMBL7441870

SCHEMBL7441870

O=C(O)CCCCCCCC(=O)NCCc1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.79
HDAC1 Q13547 2/20 0.79
HDAC2 Q92769 2/20 0.79
HDAC10 Q969S8 2/20 0.79
HDAC11 Q96DB2 2/20 0.79
HDAC8 Q9BY41 2/20 0.79
HDAC6 Q9UBN7 2/20 0.79
NCOR2 Q9Y618 2/20 0.79
LMNA P02545 1/20 0.74
TSHR P16473 1/20 0.74
HDAC4 P56524 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
F13A1 P00488 1/20 0.71
TAAR1 Q96RJ0 1/20 0.66
MAPT P10636 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
EPHX2 P34913 2/20 0.63
MEN1 O00255 1/20 0.62

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
SCHEMBL7441298 1.00 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7436977 1.00 HDAC3 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7280705 0.98 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7440269 0.95 LMNA (0.82) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL23230151 0.90 LMNA (0.91) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9644621 0.90 LMNA (0.91) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14952381 0.90 LMNA (0.85) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14302230 0.90 LMNA (0.85) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8356049 0.90 LMNA (0.85) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17117356 0.90 HDAC1 (0.79) HDAC3HDAC1HDAC2HDAC10HDAC11

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
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
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 EP disclosed