SCHEMBL7973063

SCHEMBL7973063

COc1c2c(c(OC)c(OC)c1OC)C(=O)C(CCCCCCCCO)(c1ccccc1)C2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
TSHR P16473 1/20 0.32
KIF11 P52732 1/20 0.32
CYP19A1 P11511 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL7961222 0.76 OPRM1 (0.36) TSHROPRM1OPRL1
SCHEMBL7971401 0.67 LMNA (0.40) MMP2MMP3MMP9TSHRKIF11
SCHEMBL7972666 0.66 CYP4F2 (0.45)
SCHEMBL7974599 0.63 CYP4F2 (0.44)
SCHEMBL7974393 0.61 CYP4F2 (0.46)
SCHEMBL31147300 0.58 ADORA1 (0.36) TSHRCYP19A1
SCHEMBL14788892 0.57 MMP9 (0.72) MMP2MMP3MMP9
SCHEMBL8923932 0.57 GRIN2D (0.48) MMP2MMP3MMP9CYP19A1
SCHEMBL8311348 0.56 OPRM1 (0.33) TSHROPRM1OPRL1
SCHEMBL3938866 0.56 OPRM1 (0.37) MMP2MMP3MMP9TSHROPRM1

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed