SCHEMBL8832110

SCHEMBL8832110

CCOP(=O)(OCC)C(CCC(O)c1ccccc1)P(=O)(OCC)OCC

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.45
RIPK1 Q13546 1/20 0.44
GAA P10253 2/20 0.43
NR1I2 O75469 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL31232896 0.78 POLB (1.00) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL6756690 0.78 POLB (1.00) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL9171290 0.76 SRC (0.50) LMNAKDM4ERIPK1
SCHEMBL1542688 0.76 POLB (0.66) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL8832114 0.76 POLB (0.60) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL28002410 0.76 MAPK1 (0.64) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL2281034 0.74 POLB (0.68) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL7160912 0.74 POLB (0.68) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL11369813 0.74 POLB (0.58) POLBMAPTLMNAALDH1A1MAPK1
SCHEMBL8832180 0.74 POLB (0.50) POLBMAPTLMNAALDH1A1MAPK1

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
US-5412141-A Bisphosphonic acid derivatives as anti-arthritic agents THE UPJOHN COMPANY (US) 1995-05-02 US claimed
EP-0544812-B1 BISPHOSPHONIC ACID DERIVATIVES AS ANTI-ARTHRITIC AGENTS UPJOHN CO (US) 1995-04-05 EP claimed
EP-0544812-A1 BISPHOSPHONIC ACID DERIVATIVES AS ANTI-ARTHRITIC AGENTS. UPJOHN CO (US) 1993-06-09 EP claimed
WO-1992003451-A1 BISPHOSPHONIC ACID DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1992-03-05 WO claimed
US-5602115-A Bisphosphonic acid derivatives as anti-arthritic agents THE UPJOHN COMPANY (US) 1997-02-11 US disclosed