SCHEMBL6609568

SCHEMBL6609568

O=C(CCCC(=O)c1ccccc1)NCCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.72
HDAC3 O15379 3/20 0.72
HDAC2 Q92769 3/20 0.72
HDAC10 Q969S8 3/20 0.72
HDAC11 Q96DB2 3/20 0.72
HDAC8 Q9BY41 3/20 0.72
HDAC6 Q9UBN7 3/20 0.72
NCOR2 Q9Y618 3/20 0.72
HDAC4 P56524 2/20 0.72
HDAC9 Q9UKV0 2/20 0.72
NPC1 O15118 1/20 0.65
CASP3 P42574 1/20 0.65
RAB9A P51151 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
TAAR1 Q96RJ0 1/20 0.62
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61

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
SCHEMBL4074353 0.90 HDAC3 (0.87) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL7440269 0.85 LMNA (0.82) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL13073412 0.85 HDAC3 (0.78) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL15598132 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL25840478 0.84 HDAC3 (0.77) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL17117356 0.83 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL7765076 0.83 L3MBTL1 (0.79) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL25841202 0.83 HDAC3 (0.74) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL7280705 0.82 HDAC3 (0.77) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL2186352 0.81 HDAC2 (0.72) HDAC1HDAC3HDAC2HDAC10HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142887-B1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE DAVIS & CO (US) 2004-04-07 EP disclosed
EP-0729463-B1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & CO (US) 2002-05-22 EP disclosed
EP-1142887-A1 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents PARKE, DAVIS & COMPANY (US) 2001-10-10 EP disclosed
US-5936128-A BENZENETHIOL COMPOUNDS AS INTERMEDIATES; BACTERICIDES, VIRICIDES; HIV WARNER-LAMBERT COMPANY (US) 1999-08-10 US disclosed
US-5840751-A ADMINISTERING IN THE TREATMENT OF INFECTION OR DISEASE CAUSED BY A RETROVIRUS WARNER-LAMBERT COMPANY (US) 1998-11-24 US disclosed
US-5789440-A 5,6-dihydropyrone derivatives as protease inhibitors and antiviral agents WARNER-LAMBERT COMPANY (US) 1998-08-04 US disclosed
EP-0729463-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE DAVIS & COMPANY (US) 1996-09-04 EP disclosed
EP-0729464-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed