SCHEMBL8080370

SCHEMBL8080370

COc1ccc(-c2c(CO)c(CO)cc3ccc4c(c23)OCO4)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
PDE5A O76074 3/20 0.43
PDE4A P27815 3/20 0.43
PDE1A P54750 3/20 0.43
PDE1B Q01064 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
PDE3B Q13370 3/20 0.43
PDE1C Q14123 3/20 0.43
PDE3A Q14432 3/20 0.43
ALDH1A1 P00352 6/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL8085083 0.85 ALOX5 (0.55) ALOX5PDE5APDE4APDE1APDE1B
SCHEMBL6913485 0.84 ALOX5 (0.72) ALOX5PDE5APDE4APDE1APDE1B
SCHEMBL7657876 0.84 ALDH1A1 (0.40) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL8086618 0.82 ALOX5 (0.52) ALOX5PDE5APDE4APDE1APDE1B
SCHEMBL8081890 0.78 ALOX5 (0.62) ALOX5ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8081514 0.76 TARBP2 (0.43) PDE1APDE1BPDE1CALDH1A1MAPT
SCHEMBL8072530 0.76 GPR35 (0.46) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL8080517 0.76 APP (0.41) ALOX5ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8080755 0.75 TARBP2 (0.42) PDE1APDE1BPDE1CALDH1A1MAPT
SCHEMBL8072485 0.75 ALOX5 (0.44) ALOX5ALDH1A1MAPTHPGDSMN1; 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 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