SCHEMBL8082097

SCHEMBL8082097

COc1cc(OC)c2c(-c3ccc4c(c3)OCO4)c3c(cc2c1)C(=O)NC3

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.63
ALDH1A1 P00352 6/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 4/20 0.54
CYP3A4 P08684 3/20 0.54
LMNA P02545 3/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TOP2A P11388 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ERN1 O75460 1/20 0.40
USP2 O75604 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
SCHEMBL8080847 0.87 ALOX5 (0.64) ALOX5ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL8080571 0.85 ALOX5 (0.62) ALOX5ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL8086684 0.83 MAPT (0.56) ALOX5ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL8086689 0.82 ALOX5 (0.74) ALOX5ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2951387 0.79 ALOX5 (0.53) ALOX5ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2952410 0.78 ALOX5 (0.71) ALOX5ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL8085115 0.78 ALOX5 (0.53) ALOX5ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL8085088 0.78 ALOX5 (1.00) ALOX5ALDH1A1TOP2AMEN1KMT2A
SCHEMBL8086646 0.77 ALOX5 (0.51) ALOX5ALDH1A1MAPTHPGDLMNA
SCHEMBL8081527 0.75 ALOX5 (0.48) ALOX5ALDH1A1MAPTSMN1; SMN2HPGD

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