SCHEMBL6685969

SCHEMBL6685969

CC(C)(C(=O)/C=C/c1cc(C2CCCC2)c(O)c(C2CCCC2)c1)P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN2 P17706 1/20 0.34
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2B6 P20813 2/20 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
SCHEMBL5664312 1.00 PTPN5 (0.35) PTPN5KDM4EMEN1MAPTKMT2A
SCHEMBL5670173 0.86 CYP1A2 (0.33) KDM4EMEN1MAPTKMT2AGABBR2
SCHEMBL5670176 0.86 CYP1A2 (0.33) KDM4EMEN1MAPTKMT2AGABBR2
SCHEMBL7063106 0.76 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL7063102 0.76 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL6918142 0.75 GABBR2 (0.59) GABBR2GABBR1CYP1A2CYP2C9
SCHEMBL5667902 0.72 SMN1; SMN2 (0.42) KDM4EMEN1MAPTKMT2AGABBR2
SCHEMBL5667900 0.72 SMN1; SMN2 (0.42) KDM4EMEN1MAPTKMT2AGABBR2
SCHEMBL5667477 0.70 TOP2A (0.45) KDM4EMEN1MAPTKMT2ACYP1A2
SCHEMBL5667474 0.70 TOP2A (0.45) KDM4EMEN1MAPTKMT2ACYP1A2

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-2004026243-A2 THERAPEUTIC USES OF LINEAR KETOPHOSPHONATES ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed