SCHEMBL7132005

SCHEMBL7132005

CC(C)(C)c1cc(C=C(P(=O)(O)O)P(=O)(O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.63
NR1I2 O75469 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 4/20 0.53
CYP3A4 P08684 4/20 0.53
MAPT P10636 4/20 0.53
TSHR P16473 4/20 0.53
BLM P54132 4/20 0.53
KMT2A Q03164 4/20 0.53
CYP1A2 P05177 4/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
CYP2C9 P11712 3/20 0.53
HIF1A Q16665 3/20 0.53
RGS12 O14924 2/20 0.53
GMNN O75496 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 2/20 0.53

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
SCHEMBL7519713 0.90 HMGCR (0.54) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4
SCHEMBL14206895 0.86 HMGCR (0.63) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4
SCHEMBL27480228 0.81 HMGCR (0.48) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4
SCHEMBL7141651 0.81 HMGCR (0.71) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4
SCHEMBL7519377 0.80 GABBR2 (0.61) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4
SCHEMBL7080302 0.78 HMGCR (1.00) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4
SCHEMBL678403 0.78 HMGCR (1.00) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4
SCHEMBL10441006 0.77 HMGCR (0.54) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4
SCHEMBL7521931 0.76 HMGCR (0.80) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4
SCHEMBL7175613 0.75 SMN1; SMN2 (0.61) HMGCRNR1I2SMN1; SMN2MEN1CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326618-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES Ilex Oncology Research S.A. (CH) 2003-07-16 EP claimed
WO-2002011704-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES SYMPHAR S.A. (CH) 2002-02-14 WO claimed
EP-0845991-B1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR SA (CH) 2002-02-06 EP claimed
EP-0845991-A2 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR S.A. (CH) 1998-06-10 EP claimed
WO-1997004785-A1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR S.A. (CH) 1997-02-13 WO claimed
EP-0339237-B1 PHENOL SUBSTITUTED GEM-DIPHOSPHONATE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1992-12-30 EP claimed
US-5128331-A Gen-diphosphonates SYMPHAR S.A. (CH) 1992-07-07 US claimed
EP-1326618-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES Ilex Oncology Research S.A. (CH) 2003-07-16 EP disclosed
WO-2002011704-A2 USE OF ARYL-SUBSTITUTED 1,1-DIPHOSPHONATES FOR THE TREATMENT OF BONE DISEASES SYMPHAR S.A. (CH) 2002-02-14 WO disclosed