SCHEMBL7024489

SCHEMBL7024489

CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(N(c2ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc2)c2ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.66
HDAC1 Q13547 3/20 0.66
HDAC2 Q92769 3/20 0.66
HDAC10 Q969S8 3/20 0.66
HDAC11 Q96DB2 3/20 0.66
HDAC8 Q9BY41 3/20 0.66
HDAC6 Q9UBN7 3/20 0.66
HDAC4 P56524 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
ENPP2 Q13822 1/20 0.62
DGAT2 Q96PD7 1/20 0.62
PSMB11 A5LHX3 1/20 0.62
PSMA7 O14818 1/20 0.62
PSMB1 P20618 1/20 0.62
PSMA1 P25786 1/20 0.62
PSMA2 P25787 1/20 0.62
PSMA3 P25788 1/20 0.62
PSMA4 P25789 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
SCHEMBL675018 0.91 ENPP2 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9510547 0.91 ENPP2 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9858666 0.91 ENPP2 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL18877605 0.90 CNR1 (0.74) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL22871621 0.89 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL21311906 0.86 TP53 (0.72) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL28149475 0.85 HDAC6 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL28142485 0.85 HDAC6 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL7264242 0.85 PSMB11 (0.83) HDAC4ENPP2DGAT2PSMB11PSMA7
SCHEMBL13510734 0.85 PSMB11 (0.83) HDAC4ENPP2DGAT2PSMB11PSMA7

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
EP-1277790-A2 Nucleators for crystallizable thermoplastic polymers Ciba SC Holding AG (CH) 2003-01-22 EP claimed
EP-0940431-A1 Nucleators for crystallizable thermoplastic polymers Universität Bayreuth (DE) 1999-09-08 EP claimed
EP-1277790-A2 Nucleators for crystallizable thermoplastic polymers Ciba SC Holding AG (CH) 2003-01-22 EP disclosed
EP-0940431-A1 Nucleators for crystallizable thermoplastic polymers Universität Bayreuth (DE) 1999-09-08 EP disclosed