SCHEMBL8072645

SCHEMBL8072645

COC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1CCCN)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
KDM4E B2RXH2 6/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL7655361 0.84 KDM4E (0.48) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL8085093 0.84 KDM4E (0.43) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL7663000 0.83 KMT2A (0.43) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL2954102 0.82 KMT2A (0.48) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL2954105 0.80 ALDH1A1 (0.49) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL2955515 0.78 ALDH1A1 (0.47) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL2955345 0.76 KDM4E (0.43) PDE1APDE1BPDE1CKDM4EKMT2A
SCHEMBL13266390 0.76 HPGD (0.41) KDM4EKMT2AALDH1A1HSD17B10TP53
SCHEMBL7657921 0.75 PARP1 (0.47) KDM4EALDH1A1HSD17B10TP53HPGD
SCHEMBL6913771 0.75 ALOX5 (0.48) PDE1APDE1BPDE1CKDM4EKMT2A

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
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed