SCHEMBL5507782

SCHEMBL5507782

CCN1CCN(c2c(F)cc3c(=O)c(OC(=O)O)c[nH]c3c2C2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.41
ALDH1A1 P00352 9/20 0.41
HPGD P15428 8/20 0.41
HSD17B10 Q99714 8/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
PMP22 Q01453 1/20 0.34
DRD3 P35462 1/20 0.32
BRD4 O60885 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP2J2 P51589 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.31
ALB P02768 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
POLB P06746 2/20 0.31
PRKD3 O94806 1/20 0.31
ALOX15 P16050 1/20 0.31
OPRM1 P35372 1/20 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
SCHEMBL5736019 0.90 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5735129 0.87 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8559738 0.86 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4758703 0.84 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6676409 0.77 CSNK2A2 (0.33) ALDH1A1LMNA
SCHEMBL9626409 0.77 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8898775 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL6903795 0.74 CYP1A2 (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9636148 0.74 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3239412 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830803-A2 MEDICAMENT FOR HYGIENIC APPLICATION INSIDE THE EAR Bayer HealthCare AG (DE) 2007-09-12 EP disclosed
WO-2006061156-A2 MEDICAMENT FOR HYGIENIC APPLICATION INSIDE THE EAR BAYER HEALTHCARE AG (DE) 2006-06-15 WO disclosed
EP-1641439-A1 TABLETS CONTAINING ENROFLOXACIN AND FLAVOURING AGENTS AND/OR FLAVOURS Bayer HealthCare AG (DE) 2006-04-05 EP disclosed
WO-2005000275-A1 TABLETS CONTAINING ENROFLOXACIN AND FLAVOURING AGENTS AND/OR FLAVOURS BAYER HEALTHCARE AG (DE) 2005-01-06 WO disclosed
EP-0238814-A2 Antibacterial medicaments for fish BAYER AG (DE) 1987-09-30 EP disclosed