SCHEMBL4784733

SCHEMBL4784733

Cc1c(C(=O)O)c[nH]c(=O)c1N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ALDH1A1 P00352 7/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM3B Q7LBC6 1/20 0.36
DYRK1A Q13627 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 1/20 0.35
IP6K1 Q92551 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35

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
SCHEMBL27884290 0.70 MYC (0.46) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL28542992 0.70 ALDH1A1 (0.43) LMNAMAPTALDH1A1HPGDNPSR1
SCHEMBL6208037 0.68 DYRK1A (0.52) KDM4EHPGDTSHRKDM3BDYRK1A
SCHEMBL30159879 0.67 ALDH1A1 (0.58) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL6105725 0.67 ALDH1A1 (0.58) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL3539779 0.67 SMN1; SMN2 (0.38) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL6207480 0.66 KDM4E (0.44) KDM4EALDH1A1HPGDHTTKDM3B
SCHEMBL27844750 0.66 POLB (0.43) MAPTALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL27919854 0.65 IP6K1 (0.57) KDM4ELMNAMAPTALDH1A1HPGD
SCHEMBL5532623 0.65 ALDH1A1 (0.55) KDM4EMAPTALDH1A1HPGDHTT

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
WO-2008070350-A9 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS UNIV TEXAS (US) 2008-10-23 WO disclosed
WO-2008070350-A2 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-06-12 WO disclosed