SCHEMBL8085133

SCHEMBL8085133

COC(=O)c1c(CC#N)c(-c2ccc3c(c2)OCO3)c2c3c(ccc2c1C)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
ATM Q13315 1/20 0.41
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
MAPT P10636 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 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
SCHEMBL8081438 0.90 PTGS2 (0.36) KDM4EALDH1A1HPGDATMPDE1A
SCHEMBL8085222 0.86 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL8085193 0.82 ALOX5 (0.48) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL8085093 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDPDE1APDE1B
SCHEMBL8081905 0.76 ALOX5 (0.45) KDM4EALDH1A1HPGDMAPK1ALOX5
SCHEMBL8086814 0.74 ALOX5 (0.55) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL8080596 0.74 PTGS2 (0.42) KDM4EALDH1A1HPGDATMMAPT
SCHEMBL8080528 0.74 PTGS2 (0.41) KDM4EALDH1A1HPGDATMPDE1A
SCHEMBL8081514 0.72 TARBP2 (0.43) KDM4EALDH1A1HPGDPDE1APDE1B
SCHEMBL2952186 0.71 PRKCI (0.52) KDM4EALDH1A1HPGDMAPTHSD17B10

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