SCHEMBL7526269

SCHEMBL7526269

Cc1cc(CC(P(=O)(O)O)P(=O)(O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.56
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 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
USP2 O75604 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 3/20 0.39
GMNN O75496 1/20 0.38

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
SCHEMBL6370947 0.91 HMGCR (0.66) HMGCRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8154654 0.85 HMGCR (0.59) HMGCRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL29729028 0.83 MEN1 (0.51) HMGCRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL6820414 0.83 MEN1 (0.51) HMGCRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL7086181 0.82 HMGCR (0.85) HMGCR
SCHEMBL7086384 0.82 HMGCR (0.85) HMGCRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2856982 0.78 CYP1A2 (0.49) HMGCRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL21873723 0.78 CYP1A2 (0.52) HMGCRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL10793871 0.77 CYP1A2 (0.47) HMGCRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2187676 0.76 HMGCR (0.60) HMGCRCYP1A2CYP2C9CYP2C19MEN1

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
EP-0845991-B1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR SA (CH) 2002-02-06 EP claimed
EP-0845991-B1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR SA (CH) 2002-02-06 EP disclosed
US-6127350-A FOR TREATMENT AND PREVENTION OF RAS ONCOGENE DEPENDENT CANCERS AND METASTATIC INVASIONS SYMPHAR S.A. (SE) 2000-10-03 US disclosed
EP-0845991-A2 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR S.A. (CH) 1998-06-10 EP disclosed
WO-1997004785-A1 USE OF PHENOL SUBSTITUTED DIPHOSPHONATES AS ANTINEOPLASTIC AGENTS SYMPHAR S.A. (CH) 1997-02-13 WO disclosed