SCHEMBL8081276

SCHEMBL8081276

CC(C)(C)[Si](OCc1cc2ccc3c(c2c(-c2ccc(F)cc2)c1CC#N)OCO3)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL8072723 0.86 ALOX5 (0.36) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL8072485 0.78 ALOX5 (0.44) ALDH1A1HPGDALOX15TSHRMAPK1
SCHEMBL8081282 0.77 ALDH1A1 (0.32) ALDH1A1HPGDALOX15TSHRMAPK1
SCHEMBL8072500 0.74 XDH (0.37) ALDH1A1HPGDALOX15TSHRMAPK1
SCHEMBL8081541 0.68 ALOX5 (0.40) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL8085083 0.67 ALOX5 (0.55) ALDH1A1HPGDALOX15TSHRMAPK1
SCHEMBL8072729 0.66 PTGS2 (0.34) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL8081497 0.66 TARBP2 (0.39) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL8081514 0.64 TARBP2 (0.43) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL8085093 0.63 KDM4E (0.43) ALDH1A1HPGDTSHRMAPK1HSD17B10

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