SCHEMBL7080149

SCHEMBL7080149

CC(C)OP(=O)(OC(C)C)C(=Cc1cc(Cc2ccccc2)c(O)c2ccccc12)P(=O)(OC(C)C)OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.42
BCL2 P10415 1/20 0.37

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
SCHEMBL7086710 0.83 NR1I2 (0.41)
SCHEMBL7133990 0.82 PTPN1 (0.40) BCL2
SCHEMBL7083575 0.78 HMGCR (0.63) HMGCR
SCHEMBL5663542 0.74 PTPN1 (0.47) BCL2
SCHEMBL9358736 0.74 HMGCR (0.44) HMGCR
SCHEMBL19398043 0.70 KDM4E (0.48) HMGCR
SCHEMBL5668436 0.67 PTPN1 (0.37) BCL2
SCHEMBL5668440 0.67 PTPN1 (0.37) BCL2
SCHEMBL9749183 0.67 BCL2 (0.54) BCL2
SCHEMBL8772360 0.65 HMGB1 (0.56) BCL2

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 2 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