SCHEMBL8010703

SCHEMBL8010703

Cc1c2occ(C)c2c(CNCCCCN)c2c(C)cc(=O)oc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
ALDH2 P05091 1/20 0.35
KCNA3 P22001 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM1A O60341 3/20 0.31

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
SCHEMBL8011521 0.94 KDM4E (0.40) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL9443604 0.85 KDM1A (0.37) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL8008403 0.84 KDM1A (0.38) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL8013923 0.81 MAOB (0.35) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL17924142 0.80 KDM4E (0.47) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL8010863 0.80 KDM1A (0.35) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL8011917 0.79 KDM4E (0.37) KDM4EALDH1A1HSD17B10POLBMAPT
SCHEMBL3359444 0.76 MAOA (0.41) KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL3360003 0.75 MAOA (0.41) KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4193524 0.75 MAOA (0.41) KDM4EALDH1A1HSD17B10MAPTSMN1; SMN2

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-1044066-A1 BATCH DEVICES FOR THE REDUCTION OF COMPOUNDS FROM BIOLOGICAL COMPOSITIONS CONTAINING CELLS AND METHODS OF USE Cerus Corporation (US) 2000-10-18 EP disclosed
WO-1999034914-A1 BATCH DEVICES FOR THE REDUCTION OF COMPOUNDS FROM BIOLOGICAL COMPOSITIONS CONTAINING CELLS AND METHODS OF USE CERUS CORPORATION (US) 1999-07-15 WO disclosed