SCHEMBL7663000

SCHEMBL7663000

COC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1COS(C)(=O)=O)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
TP53 P04637 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
TARBP2 Q15633 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8080755 0.91 TARBP2 (0.42) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL8072434 0.88 TARBP2 (0.38) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL7655614 0.85 TARBP2 (0.35) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL8072656 0.84 KDM4E (0.41) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL8085093 0.84 KDM4E (0.43) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL8072645 0.83 PDE1A (0.44) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL2954102 0.82 KMT2A (0.48) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL7655361 0.82 KDM4E (0.48) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL2954105 0.80 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1MEN1TP53
SCHEMBL2955515 0.78 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1MEN1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
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