SCHEMBL6909367

SCHEMBL6909367

CC(C)(C)c1cc(SCC(=O)CO[PH](=O)OCC(=O)CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
VCAM1 P19320 12/20 0.42
GPR55 Q9Y2T6 1/20 0.37
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9390325 0.93 VCAM1 (0.41) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL6909365 0.90 HPN (0.41) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9390321 0.84 VCAM1 (0.40) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL6917312 0.81 ALOX15 (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9550709 0.79 HPN (0.50) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9390783 0.79 VCAM1 (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL6918005 0.76 VCAM1 (0.40) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9225383 0.76 GAA (0.54) MAPTALOX15GPR55LMNAALDH1A1
SCHEMBL4397391 0.76 HPN (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9119059 0.76 MAPT (0.53) HPNMAPTALOX15SIRT5VCAM1

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