SCHEMBL6914359

SCHEMBL6914359

COP(C)(=O)OCC(=O)C(C)=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.50
NR1I2 O75469 1/20 0.50
GPR55 Q9Y2T6 1/20 0.44
GABBR2 O75899 2/20 0.40
GABBR1 Q9UBS5 2/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 3/20 0.39
RECQL P46063 3/20 0.39
MEN1 O00255 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
BLM P54132 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RGS12 O14924 2/20 0.39
GMNN O75496 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL6916160 0.86 HMGCR (0.51) HMGCRNR1I2GPR55GABBR2GABBR1
SCHEMBL6911195 0.82 HMGCR (0.47) HMGCRNR1I2GPR55GABBR2GABBR1
SCHEMBL6914294 0.82 HMGCR (0.45) HMGCRNR1I2GPR55GABBR2GABBR1
SCHEMBL6916348 0.81 HMGCR (0.46) HMGCRNR1I2GPR55GABBR2GABBR1
SCHEMBL6917719 0.81 GABBR2 (0.52) HMGCRNR1I2GPR55GABBR2GABBR1
SCHEMBL6919076 0.81 HMGCR (0.57) HMGCRNR1I2GPR55GABBR2GABBR1
SCHEMBL9394076 0.77 HMGCR (0.45) HMGCRNR1I2GPR55GABBR2GABBR1
SCHEMBL9394069 0.77 HMGCR (0.45) HMGCRNR1I2GPR55GABBR2GABBR1
SCHEMBL6916387 0.77 LMNA (0.47) HMGCRNR1I2GPR55LMNARECQL
SCHEMBL9224042 0.76 GABBR2 (0.47) HMGCRNR1I2GPR55GABBR2GABBR1

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 3 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
EP-0638084-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1995-02-15 EP claimed
WO-1994019358-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1994-09-01 WO claimed