SCHEMBL8832067

SCHEMBL8832067

CCOP(=O)(OCC)C(CCC#N)(c1cccc2ccccc12)P(=O)(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
NR1I2 O75469 1/20 0.37
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 3/20 0.33
ACP3 P15309 2/20 0.33
NMT2 O60551 2/20 0.33
NMT1 P30419 2/20 0.33
HTT P42858 2/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9178631 0.80 ACP3 (0.46) HPGDKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL8938035 0.67 ACP3 (0.67) HPGDKDM4ELMNANR1I2ALDH1A1
SCHEMBL16204385 0.64 MEN1 (0.41) NPSR1
SCHEMBL10391193 0.63 KMT2A (0.56) HPGDKDM4ELMNAALDH1A1NMT2
SCHEMBL10389688 0.63 MEN1 (0.46) HPGDKDM4EALDH1A1NMT2NMT1
SCHEMBL518217 0.63 POLB (0.44) HPGDKDM4ELMNANR1I2ALDH1A1
SCHEMBL28675931 0.63 CA1 (0.37) HPGDKDM4ELMNAALDH1A1ACP3
SCHEMBL10786887 0.63 KDM4E (0.57) HPGDKDM4ELMNANR1I2ALDH1A1
SCHEMBL31482558 0.63 KDM4E (0.57) HPGDKDM4ELMNANR1I2ALDH1A1
SCHEMBL10631805 0.61 KDM4E (0.54) HPGDKDM4ELMNANR1I2ALDH1A1

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