SCHEMBL8072887

SCHEMBL8072887

O=C(O)c1c(C(=O)O)c(-c2ccc(F)cc2)c2c3c(ccc2c1O)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
P4HB P07237 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FYN P06241 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL8081363 0.88 PTGS2 (0.44) PTGS2HSP90AA1HSP90AB1CASP3SENP8
SCHEMBL8085173 0.86 ALDH1A1 (0.46) ALDH1A1MAPK1EDNRBEDNRAKDM4E
SCHEMBL8081344 0.85 PTGS2 (0.42) PTGS2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8081515 0.85 EDNRA (0.45) ALDH1A1KMT2ANPC1RAB9AEDNRB
SCHEMBL8080596 0.76 PTGS2 (0.42) PTGS2HSP90AA1HSP90AB1CASP3SENP8
SCHEMBL8081905 0.75 ALOX5 (0.45) ALDH1A1MAPK1EDNRBEDNRAKDM4E
SCHEMBL8084890 0.74 EDNRA (0.45) ALDH1A1NPC1EDNRBEDNRAKDM4E
SCHEMBL8467959 0.74 PTGS2 (0.42) PTGS2HSP90AA1HSP90AB1ALDH1A1KMT2A
SCHEMBL8072411 0.73 ALDH1A1 (0.42) ALDH1A1MAPK1EDNRBEDNRAKDM4E
SCHEMBL8084976 0.72 EDNRB (0.50) ALDH1A1SMN1; SMN2EDNRBEDNRAKDM4E

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