SCHEMBL8645684

SCHEMBL8645684

O=C(O)C(C1CCCN1)C(C(=O)O)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SLC6A3 Q01959 3/20 0.34

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
SCHEMBL8842730 0.72 MMP2 (0.40) FDPSALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL8842518 0.72 MMP2 (0.40) FDPSALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL8648798 0.71 FDPS (0.55) FDPSMEN1KMT2AALDH1A1CYP1A2
SCHEMBL8644746 0.70 CPN1 (0.38)
SCHEMBL27602300 0.69 FDPS (0.41) FDPSSLC6A3SLC6A2SLC6A4
SCHEMBL8842533 0.69 FDPS (0.32) FDPSGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7284064 0.69 MEN1 (0.41) MEN1KMT2AALDH1A1SLC6A3SLC6A2
SCHEMBL10775306 0.69 MEN1 (0.41) MEN1KMT2AALDH1A1SLC6A3SLC6A2
SCHEMBL7284071 0.69 MEN1 (0.41) MEN1KMT2AALDH1A1SLC6A3SLC6A2
SCHEMBL7380569 0.69 MEN1 (0.41) MEN1KMT2AALDH1A1SLC6A3SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703919-B1 PHOSPHOSUCCINIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1998-09-02 EP claimed
US-5627170-A Phosphonic acid compound containing heterocyclic substituents, pharmaceutical composition contains same and a method of treating calcium metabolism disturbance BOEHRINGER MANNHEIM GMBH (DE) 1997-05-06 US disclosed
US-5538957-A OSTEOPOROSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-07-23 US disclosed