SCHEMBL7066330

SCHEMBL7066330

COc1c(C(C)(C)C)cc(/C=C/C(=O)C(C2CCCC2)P(=O)(O)O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.42
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
METAP2 P50579 4/20 0.35
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ACHE P22303 1/20 0.33
HMGCR P04035 1/20 0.32
EGFR P00533 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
SCHEMBL5666846 0.83 TNFRSF1A (0.32) TNFRSF1AKDM4E
SCHEMBL5667712 0.82 MAPT (0.35) KDM4EKMT2AMEN1GABBR2GABBR1
SCHEMBL7065200 0.81 GABBR2 (0.46) TNFRSF1AGABBR2GABBR1MAOAMAOB
SCHEMBL7065034 0.72 TNFRSF1A (0.50) TNFRSF1AKDM4EKMT2AMEN1GABBR2
SCHEMBL6916935 0.72 TNFRSF1A (0.50) TNFRSF1AKDM4EKMT2AMEN1GABBR2
SCHEMBL7442575 0.70 TNFRSF1A (0.56) TNFRSF1AKDM4EKMT2AMEN1GABBR2
SCHEMBL7442572 0.70 TNFRSF1A (0.56) TNFRSF1AKDM4EKMT2AMEN1GABBR2
SCHEMBL7060718 0.69 TNFRSF1A (0.49) TNFRSF1AKDM4EKMT2AMEN1GABBR2
SCHEMBL7060721 0.69 TNFRSF1A (0.49) TNFRSF1AKDM4EKMT2AMEN1GABBR2
SCHEMBL6909695 0.68 TNFRSF1A (0.46) TNFRSF1AKDM4EKMT2AMEN1GABBR2

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
WO-2004026245-A2 SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed