SCHEMBL8044577

SCHEMBL8044577

CCCC(C)CNCC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.44
ANPEP P15144 1/20 0.44
HPGD P15428 2/20 0.41
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
GPR88 Q9GZN0 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 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
SCHEMBL8048815 0.82 ANPEP (0.50) KDM4ETDP1ALDH1A1ANPEPHPGD
SCHEMBL24843252 0.76 TSHR (0.41) HTTGPR88
SCHEMBL11061356 0.76 KDM4E (0.43) KDM4EALDH1A1ANPEPHPGDHTT
SCHEMBL24818707 0.76 ANPEP (0.55) KDM4ETDP1ALDH1A1ANPEPHPGD
SCHEMBL10570075 0.76 ANPEP (0.55) KDM4ETDP1ALDH1A1ANPEPHPGD
SCHEMBL22307595 0.76 ANPEP (0.55) KDM4ETDP1ALDH1A1ANPEPHPGD
SCHEMBL11060437 0.76 HPGD (0.45) KDM4EALDH1A1ANPEPHPGDHTT
SCHEMBL13999454 0.75 TSHR (0.40) HTTGPR88
SCHEMBL11306182 0.73 ANPEP (0.60) KDM4ETDP1ALDH1A1ANPEPHPGD
SCHEMBL11061885 0.73 KDM4E (0.41) KDM4EALDH1A1HPGDLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071707-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed