SCHEMBL7796898

SCHEMBL7796898

O=P(O)(O)C1(P(=O)(O)O)Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.41
HDAC9 Q9UKV0 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
SRC P12931 2/20 0.33
CXCR5 P32302 2/20 0.33
CYP1A2 P05177 1/20 0.33
CFTR P13569 1/20 0.33
MME P08473 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL1614252 0.77 TSHR (0.41) ACP3HDAC9CA2CA4CA5A
Hydrochloric Acid SCHEMBL19100214 0.76 TSHR (0.40) ACP3HDAC9CA2CA4CA5A
SCHEMBL9737829 0.73 HTT (0.35) CXCR5
SCHEMBL24177272 0.69 CXCR5 (0.36) ACP3HDAC9CXCR5MME
Phosphoric Acid SCHEMBL8469073 0.69 CYP1A2 (0.52) ACP3CA2CA4CA5ASRC
SCHEMBL28428925 0.69 SRC (0.36) ACP3HDAC9CA2CA4CA5A
SCHEMBL4702604 0.67 HDAC9 (0.36) HDAC9CA2CYP1A2MME
SCHEMBL30147508 0.67 HDAC9 (0.46) HDAC9CXCR5MME
SCHEMBL10999638 0.67 HDAC9 (0.46) HDAC9CXCR5MME
SCHEMBL24668914 0.67 CXCR5 (0.35) CXCR5

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104863-A Certain bicycloalkane and azabicycloalkane-1,1-diphosphonic acid derivatives useful for treating diseases associated with abnormal calcium and phosphate metabolism THE PROCTER & GAMBLE COMPANY (US) 1992-04-14 US claimed
EP-0189662-B1 NOVEL DIPHOSPHONATES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1989-09-06 EP claimed
EP-0189662-A1 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1986-08-06 EP claimed
US-6329354-B1 ADMINISTERING BONE ACTIVE PHOSPHONATE, ADMINISTERING ESTROGEN HORMONE THE PROCTER & GAMBLE COMPANY 2001-12-11 US disclosed
EP-1158987-A1 METHODS OF INCREASING BONE VOLUME USING NON-NATURALLY-OCCURRING FP SELECTIVE AGONISTS AND ANTIRESORPTIVE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2001-12-05 EP disclosed
WO-2000051617-A1 METHODS OF INCREASING BONE VOLUME USING NON-NATURALLY-OCCURRING FP SELECTIVE AGONISTS AND ANTIRESORPTIVE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed
EP-0643716-B1 QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 1999-12-08 EP disclosed
US-5869471-A Methods for the treatment of arthritis using phosphonates and NSAIDS THE PROCTOR & GAMBLE COMPANY (US) 1999-02-09 US disclosed
US-5753634-A TREATING OR PREVENTING ARTHRITIS AND OSTEOPOROSIS THE PROCTER & GAMBLE COMPANY (US) 1998-05-19 US disclosed
EP-0779813-A4 PHOSPHONATES AND PARATHYROID HORMONE FOR OSTEOPOROSIS PROCTER & GAMBLE (US) 1998-05-06 EP disclosed
EP-0779812-A4 METHODS FOR THE TREATMENT OF OSTEOPOROSIS USING BONE ACTIVE PHOSPHONATES AND PARATHYROID HORMONE PROCTER & GAMBLE (US) 1997-09-10 EP disclosed
US-4868164-A OSTEOPOROSIS, ARTHRITIS NORWICH EATON PHARMACEUTICALS, INC. (US) 1989-09-19 US disclosed
EP-0189662-B1 NOVEL DIPHOSPHONATES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1989-09-06 EP disclosed
EP-0304962-A2 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1989-03-01 EP disclosed
EP-0304961-A2 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1989-03-01 EP disclosed
US-4761406-A ADMINISTERING A ONE RESORPTION INHIBITING POLYPHOSPHONATE THE PROCTER & GAMBLE COMPANY (US) 1988-08-02 US disclosed
EP-0273514-A1 Novel bicyclic diphosphonate compounds and pharmaceutical compositions Norwich Eaton Pharmaceuticals, Inc. (US) 1988-07-06 EP disclosed
US-4687768-A OSTEOPOROSIS, ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1987-08-18 US disclosed
EP-0210728-A2 Kit containing polyphosphonate for treating osteoporosis THE PROCTER & GAMBLE COMPANY (US) 1987-02-04 EP disclosed
EP-0189662-A1 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1986-08-06 EP disclosed