SCHEMBL6910432

SCHEMBL6910432

CCC(C)(C(=O)/C=C/c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)P(=O)(OC)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.45
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HTR1A P08908 3/20 0.36
HTR2C P28335 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 2/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
BACE1 P56817 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 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
SCHEMBL6910433 1.00 TNFRSF1A (0.45) TNFRSF1AGABBR2GABBR1KDM4EALDH1A1
SCHEMBL6909695 0.91 TNFRSF1A (0.46) TNFRSF1AGABBR2GABBR1KDM4EALDH1A1
SCHEMBL6918935 0.89 GABBR2 (0.50) TNFRSF1AGABBR2GABBR1GPR55NR1I2
SCHEMBL6918934 0.89 GABBR2 (0.50) TNFRSF1AGABBR2GABBR1GPR55NR1I2
SCHEMBL7060721 0.85 TNFRSF1A (0.49) TNFRSF1AGABBR2GABBR1KDM4EALDH1A1
SCHEMBL7060718 0.85 TNFRSF1A (0.49) TNFRSF1AGABBR2GABBR1KDM4EALDH1A1
SCHEMBL6917803 0.84 TNFRSF1A (0.48) TNFRSF1AGABBR2GABBR1KDM4EALDH1A1
SCHEMBL6917804 0.84 TNFRSF1A (0.48) TNFRSF1AGABBR2GABBR1KDM4EALDH1A1
SCHEMBL7064912 0.82 TNFRSF1A (0.49) TNFRSF1AGABBR2GABBR1KDM4EALDH1A1
SCHEMBL7064909 0.82 TNFRSF1A (0.49) TNFRSF1AGABBR2GABBR1KDM4EALDH1A1

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