SCHEMBL8086569

SCHEMBL8086569

CN(C)CCOc1c(C(=O)O)c(C(=O)O)c(-c2ccc3c(c2)OCO3)c2c3c(ccc12)OCO3

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
SLC6A9 P48067 4/20 0.41
EDNRB P24530 11/20 0.41
TDP1 Q9NUW8 1/20 0.40
EDNRA P25101 7/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8084976 0.84 EDNRB (0.50) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL8082083 0.81 TDP1 (0.42) RAB9ASLC6A9EDNRBTDP1EDNRA
SCHEMBL8072357 0.79 ALOX5 (0.44) RAB9ASLC6A9EDNRBTDP1EDNRA
SCHEMBL8081905 0.78 ALOX5 (0.45) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL8085173 0.78 ALDH1A1 (0.46) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL8072411 0.77 ALDH1A1 (0.42) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL8072416 0.76 ALDH1A1 (0.42) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL8084890 0.74 EDNRA (0.45) EDNRBTDP1EDNRAKDM4EALDH1A1
SCHEMBL8081344 0.73 PTGS2 (0.42) EDNRBEDNRAKDM4EALDH1A1HPGD
SCHEMBL2954233 0.72 PRKCI (0.49) RAB9AEDNRBKDM4EALDH1A1HPGD

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