SCHEMBL4229673

SCHEMBL4229673

Cc1c2oc(=O)cc(C)c2c(C)c2c(CO)coc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 6/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 3/20 0.42
HPGD P15428 4/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH2 P05091 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAOA P21397 1/20 0.36
HTR2C P28335 1/20 0.36
ADORA2A P29274 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL5086676 0.86 PON1 (0.47) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL3939905 0.86 KDM4E (0.43) KDM4EALDH1A1HSD17B10POLBTSHR
Hydrochloric Acid SCHEMBL1002717 0.84 KDM4E (0.42) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL7869275 0.83 KDM4E (0.43) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL4975144 0.78 KDM4E (0.37) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL8011917 0.78 KDM4E (0.37) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL8014647 0.76 KDM4E (0.36) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL8050025 0.76 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL9443604 0.76 KDM1A (0.37) KDM4EALDH1A1HSD17B10POLBTSHR
SCHEMBL8010863 0.75 KDM1A (0.35) KDM4EALDH1A1HSD17B10POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021493-A2 METHODS AND REAGENTS FOR DETECTING SUSCEPTIBILITY TO GRAFT VERSUS HOST DISEASE OR TRANSPLANT RELATED MORTALITY THERAKOS, INC. (US) 2009-02-11 EP disclosed
WO-2007127493-A2 METHODS AND REAGENTS FOR DETECTING SUSCEPTIBILITY TO GRAFT VERSUS HOST DISEASE OR TRANSPLANT RELATED MORTALITY THERAKOS, INC. (US) 2007-11-08 WO disclosed
EP-1105539-A2 ASSAYS USING CROSSLINKABLE IMMOBILIZED NUCLEIC ACIDS NAXCOR (US) 2001-06-13 EP disclosed
EP-0994743-A4 TREATMENT OF INFLAMMATORY DISORDERS OF THE BOWEL AND URINARY BLADDER THERAKOS INC (US) 2001-02-14 EP disclosed
EP-0994743-A1 TREATMENT OF INFLAMMATORY DISORDERS OF THE BOWEL AND URINARY BLADDER THERAKOS, INC. (US) 2000-04-26 EP disclosed
WO-2000014281-A2 ASSAYS USING CROSSLINKABLE IMMOBILIZED NUCLEIC ACIDS NAXCOR (US) 2000-03-16 WO disclosed
WO-1999002215-A1 TREATMENT OF INFLAMMATORY DISORDERS OF THE BOWEL AND URINARY BLADDER THERAKOS, INC. (US) 1999-01-21 WO disclosed
US-5776744-A BETWEEN A NATIVE NUCLEIC ACID SEGMENT IN A CELL AND A DONOR NUCLEIC ACID SEGMENT INTRODUCED INTO THE CELL YALE UNIVERSITY (US) 1998-07-07 US disclosed