SCHEMBL8082777

SCHEMBL8082777

NCCCCCC(=O)NN1C(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
MMP2 P08253 1/20 0.41
HDAC3 O15379 8/20 0.40
HDAC1 Q13547 8/20 0.40
HDAC2 Q92769 8/20 0.40
HDAC10 Q969S8 7/20 0.40
HDAC6 Q9UBN7 7/20 0.40
HDAC4 P56524 6/20 0.40
HDAC7 Q8WUI4 6/20 0.40
HDAC11 Q96DB2 6/20 0.40
HDAC8 Q9BY41 6/20 0.40
HDAC9 Q9UKV0 6/20 0.40
HDAC5 Q9UQL6 6/20 0.40
NCOR2 Q9Y618 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLG P00747 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL2219779 0.81 GNAI3 (0.47) MEN1LMNAKMT2APTGS1PTGS2
SCHEMBL24312050 0.77 CA1 (0.35) MEN1ALDH1A1LMNAKMT2ACA1
SCHEMBL29018282 0.74 TP53 (0.44) CYP3A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL20752748 0.72 SLC6A5 (0.48) CYP3A4MMP2HDAC3HDAC1HDAC2
SCHEMBL2539135 0.70 ALDH1A1 (0.42) MEN1ALDH1A1LMNAKMT2ACA1
SCHEMBL22529820 0.68 ALDH1A1 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL20732371 0.67 PTGS1 (0.44) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL31087111 0.67 PAOX (0.44) MEN1KMT2APAOX
SCHEMBL27527215 0.67 GNAI3 (0.48) MEN1LMNAKMT2ACA1CA2
SCHEMBL4837664 0.67 HDAC6 (0.72) CYP3A4HDAC3HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041999-A1 THROMBOGENIC POLYPEPTIDE CHIMERAS AND CONJUGATES HAVING ACTIVITY DEPENDENT UPON ASSOCIATION WITH TUMOR VASCULAR ENDOTHELIUM Nuvas LLC (US) 2000-10-11 EP disclosed
WO-1999032143-A1 THROMBOGENIC POLYPEPTIDE CHIMERAS AND CONJUGATES HAVING ACTIVITY DEPENDENT UPON ASSOCIATION WITH TUMOR VASCULAR ENDOTHELIUM NUVAS LLC (US) 1999-07-01 WO disclosed