SCHEMBL8084976

SCHEMBL8084976

COc1c(C(=O)O)c(C(=O)O)c(-c2ccc3c(c2)OCO3)c2c3c(ccc12)OCO3

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
EDNRA P25101 9/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ERN1 O75460 1/20 0.42

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
SCHEMBL8084890 0.89 EDNRA (0.45) EDNRBALDH1A1KDM4EHPGDEDNRA
SCHEMBL8081344 0.88 PTGS2 (0.42) EDNRBALDH1A1KDM4EHPGDEDNRA
SCHEMBL8081905 0.85 ALOX5 (0.45) EDNRBALDH1A1KDM4EHPGDEDNRA
SCHEMBL8085173 0.85 ALDH1A1 (0.46) EDNRBALDH1A1KDM4EHPGDEDNRA
SCHEMBL2954233 0.84 PRKCI (0.49) EDNRBALDH1A1KDM4EHPGDMAPT
SCHEMBL8086569 0.84 RAB9A (0.44) EDNRBALDH1A1KDM4EHPGDEDNRA
SCHEMBL8072411 0.83 ALDH1A1 (0.42) EDNRBALDH1A1KDM4EHPGDEDNRA
SCHEMBL8072416 0.81 ALDH1A1 (0.42) EDNRBALDH1A1KDM4EHPGDEDNRA
SCHEMBL8081515 0.79 EDNRA (0.45) EDNRBALDH1A1KDM4EHPGDEDNRA
SCHEMBL8085195 0.78 MAPT (0.45) EDNRBALDH1A1KDM4EHPGDEDNRA

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