SCHEMBL6909440

SCHEMBL6909440

CCOP(=O)(CC)OCC(=O)CCc1cc(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
GAA P10253 8/20 0.47
KMT2A Q03164 5/20 0.47
NR1I2 O75469 1/20 0.44
MEN1 O00255 4/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
AGTR1 P30556 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.38
PKM P14618 1/20 0.37
TSHR P16473 3/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 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
SCHEMBL9222249 0.94 GAA (0.47) HMGCRGAAKMT2ANR1I2MEN1
SCHEMBL27571607 0.83 HMGCR (0.56) HMGCRGAAKMT2ANR1I2MEN1
SCHEMBL9226227 0.82 HMGCR (0.49) HMGCRGAAKMT2ANR1I2MEN1
SCHEMBL6916388 0.81 HMGCR (0.44) HMGCRGAAKMT2ANR1I2MEN1
SCHEMBL1305322 0.80 HMGCR (0.58) HMGCRGAAKMT2ANR1I2MEN1
SCHEMBL6910755 0.80 GAA (0.49) HMGCRGAAKMT2ANR1I2MEN1
SCHEMBL6914237 0.80 HMGCR (0.48) HMGCRKMT2ANR1I2MEN1LMNA
SCHEMBL6919061 0.80 HMGCR (0.43) HMGCRGAANR1I2LMNAHTT
SCHEMBL27570668 0.79 HMGCR (0.59) HMGCRGAAKMT2ANR1I2MEN1
SCHEMBL7065175 0.78 HMGCR (0.54) HMGCRGAAKMT2ANR1I2MEN1

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 5 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
WO-1994019358-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1994-09-01 WO disclosed