SCHEMBL7361816

SCHEMBL7361816

CCC1(CC)Cc2c(OC(=O)OC)ccc(OC)c2O1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.33
FFAR4 Q5NUL3 4/20 0.33
FGFR1 P11362 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
JAK2 O60674 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 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
SCHEMBL7353933 0.88 FFAR4 (0.35) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL7362246 0.87 FFAR4 (0.34) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL7360479 0.82 FFAR4 (0.43) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL5722794 0.82 KDM4E (0.40) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL7356280 0.80 KDM4E (0.40) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL8057649 0.79 KDM4E (0.40) KDM4ECASP1CASP7ALDH1A1HSD17B10
SCHEMBL5722937 0.77 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL5722696 0.76 ALDH1A1 (0.38) KDM4EALDH1A1LMNAHPGDFFAR4
SCHEMBL6837976 0.72 PDE4A (0.40) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5722945 0.72 PDE4A (0.39) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772610-B9 DIHYDROBENZOFURANES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-07-25 EP disclosed
EP-0772610-B1 DIHYDROBENZOFURANES BYK GULDEN LOMBERG CHEM FAB (DE) 2000-10-04 EP disclosed
EP-0772610-A1 DIHYDROBENZOFURANES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-05-14 EP disclosed
WO-1996003399-A1 DIHYDROBENZOFURANES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-02-08 WO disclosed