SCHEMBL7064909

SCHEMBL7064909

COc1c(C(C)(C)C)cc(/C=C/C(=O)C(F)(F)P(=O)(OC)OC)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.49
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HTR1A P08908 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
HTR2C P28335 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
BACE1 P56817 1/20 0.36
KRAS P01116 3/20 0.35
TUBB1 Q9H4B7 1/20 0.35
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7064912 1.00 TNFRSF1A (0.49) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL6917804 0.91 TNFRSF1A (0.48) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL6917803 0.91 TNFRSF1A (0.48) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL7060721 0.87 TNFRSF1A (0.49) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL7060718 0.87 TNFRSF1A (0.49) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL6910433 0.82 TNFRSF1A (0.45) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL6910432 0.82 TNFRSF1A (0.45) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL7065034 0.80 TNFRSF1A (0.50) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL6916935 0.80 TNFRSF1A (0.50) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E
SCHEMBL6909695 0.79 TNFRSF1A (0.46) TNFRSF1AGABBR2GABBR1ALDH1A1KDM4E

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