SCHEMBL6911038

SCHEMBL6911038

CCOP(=O)(CC)OCC(=O)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.51
NR1I2 O75469 2/20 0.51
GPR55 Q9Y2T6 1/20 0.41
TNFRSF1A P19438 1/20 0.39
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EGFR P00533 1/20 0.37
PTGS2 P35354 4/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 3/20 0.36
RECQL P46063 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RGS12 O14924 1/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL6914294 0.83 HMGCR (0.45) HMGCRNR1I2GPR55TNFRSF1AGAA
SCHEMBL6919076 0.83 HMGCR (0.57) HMGCRNR1I2GPR55GAAMEN1
SCHEMBL9390284 0.78 GPR55 (0.45) HMGCRNR1I2GPR55TNFRSF1AGAA
SCHEMBL9390295 0.78 GPR55 (0.45) HMGCRNR1I2GPR55TNFRSF1AGAA
SCHEMBL6917885 0.78 HMGCR (0.53) HMGCRNR1I2GPR55TNFRSF1APTGS2
SCHEMBL9390290 0.78 GPR55 (0.44) HMGCRNR1I2GPR55TNFRSF1AGAA
Butane SCHEMBL9220686 0.77 GPR55 (0.42) HMGCRNR1I2GPR55TNFRSF1AGAA
SCHEMBL9390686 0.75 HMGCR (0.50) HMGCRNR1I2GPR55TNFRSF1AEGFR
SCHEMBL6914237 0.75 HMGCR (0.48) HMGCRNR1I2GPR55MEN1KMT2A
SCHEMBL6910734 0.73 HMGCR (0.47) HMGCRNR1I2GPR55GAAMEN1

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 4 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-2004026245-A2 SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed
EP-0638084-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1995-02-15 EP disclosed