SCHEMBL7948751

SCHEMBL7948751

O=C(O)c1ccccc1NC(=O)C1CCc2ccccc2O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
LMNA P02545 3/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NFKB1 P19838 5/20 0.47
NFKB2 Q00653 5/20 0.47
RELA Q04206 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.44

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
SCHEMBL24496758 0.78 HDAC3 (0.52) HDAC3HDAC1HDAC2HPGDNFKB1
SCHEMBL24496757 0.78 HDAC3 (0.52) HDAC3HDAC1HDAC2HPGDNFKB1
SCHEMBL29587707 0.78 HDAC3 (0.52) HDAC3HDAC1HDAC2HPGDNFKB1
SCHEMBL2301393 0.77 HDAC3 (0.55) HDAC3HDAC1HDAC2LMNAMAPT
SCHEMBL29212165 0.76 HDAC3 (0.54) HDAC3HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL29388635 0.76 HPGD (0.49) HDAC3HDAC1HDAC2ALDH1A1NPSR1
SCHEMBL2286036 0.76 HPGD (0.49) HDAC3HDAC1HDAC2ALDH1A1NPSR1
SCHEMBL229558 0.76 HPGD (0.49) HDAC3HDAC1HDAC2ALDH1A1NPSR1
SCHEMBL230023 0.76 HPGD (0.49) HDAC3HDAC1HDAC2ALDH1A1NPSR1
SCHEMBL27554734 0.76 HPGD (0.49) HDAC3HDAC1HDAC2ALDH1A1NPSR1

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
US-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US claimed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP claimed
US-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 US disclosed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP disclosed