SCHEMBL7518927

SCHEMBL7518927

CCOP(=O)(OCC)C(Cc1cc(C(C)C)c(O)c(C(C)C)c1)P(=O)(OCC)OCC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 8/20 0.63
GSR P00390 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GABRA1 P14867 4/20 0.37
GABRB1 P18505 4/20 0.37
GABRB2 P47870 2/20 0.37
POLB P06746 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 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
SCHEMBL7083289 0.83 HMGCR (0.65) HMGCRGSR
SCHEMBL7519057 0.79 GSR (0.49) HMGCRGSRCA1CA2GABRA1
SCHEMBL10981919 0.78 GSR (0.45) HMGCRGSRMEN1KMT2ACA1
SCHEMBL1704691 0.78 HMGCR (1.00) HMGCRMEN1KMT2A
SCHEMBL5664710 0.74 HMGCR (0.57) HMGCRPOLB
SCHEMBL27415462 0.74 HMGCR (0.47) HMGCRGSRCA1CA2GABRA1
SCHEMBL7080284 0.74 HMGCR (0.60) HMGCR
SCHEMBL7086384 0.73 HMGCR (0.85) HMGCRMEN1KMT2A
SCHEMBL25922437 0.71 HMGCR (0.53) HMGCRPOLB
SCHEMBL25922136 0.69 HMGCR (0.56) HMGCRMEN1KMT2ACA1CA2

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 4 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
US-6127350-A FOR TREATMENT AND PREVENTION OF RAS ONCOGENE DEPENDENT CANCERS AND METASTATIC INVASIONS SYMPHAR S.A. (SE) 2000-10-03 US 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