SCHEMBL6909428

SCHEMBL6909428

CC(C)(C)c1cc(CCC(=O)CO[PH](=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.52
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
BLM P54132 2/20 0.40
ATM Q13315 2/20 0.40
HIF1A Q16665 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAOB P27338 2/20 0.40
USP2 O75604 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL9389244 0.93 GAA (0.52) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL9225383 0.90 GAA (0.54) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL9389236 0.84 GAA (0.53) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11520659 0.82 GAA (0.68) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL27906237 0.81 GAA (0.48) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL20630773 0.79 GAA (0.69) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL2279298 0.78 GAA (0.47) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL6918240 0.78 GPR55 (0.37) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL4572222 0.77 GAA (0.62) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL551094 0.77 ALDH1A1 (0.47) GAAKMT2AMEN1ALDH1A1LMNA

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