SCHEMBL8080438

SCHEMBL8080438

COc1cccc2cc3c(c(-c4ccc5c(c4)OCO5)c12)C(=O)NC3=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.52
STK10 O94804 1/20 0.49
SLK Q9H2G2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
TOP2A P11388 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CDK2 P24941 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL8072455 0.87 ALDH1A1 (0.48) ALOX5STK10SLKL3MBTL1TOP2A
SCHEMBL8086684 0.86 MAPT (0.56) ALOX5STK10SLKL3MBTL1TOP2A
SCHEMBL8080847 0.83 ALOX5 (0.64) ALOX5STK10SLKL3MBTL1TOP2A
SCHEMBL8085298 0.81 ALOX5 (0.73) ALOX5L3MBTL1TOP2AALDH1A1MAPT
SCHEMBL2960392 0.81 TOP2A (0.48) ALOX5STK10SLKL3MBTL1TOP2A
SCHEMBL2959109 0.81 ALOX5 (0.48) ALOX5KMT2ACDK2MEN1GAPDH
SCHEMBL8085182 0.78 ALOX5 (0.49) ALOX5L3MBTL1TOP2AALDH1A1MAPT
SCHEMBL8085334 0.78 ALOX5 (0.66) ALOX5TOP2AALDH1A1MAPTKDM4E
SCHEMBL8072321 0.77 CDK2 (0.43) ALOX5STK10SLKTOP2AALDH1A1
SCHEMBL8080517 0.76 APP (0.41) ALOX5L3MBTL1ALDH1A1MAPTHPGD

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