SCHEMBL8843565

SCHEMBL8843565

NCCCC(C(=O)O)C(C(=O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 3/20 0.41
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
GSR P00390 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
BHMT Q93088 1/20 0.37
FOLH1 Q04609 2/20 0.34
GLUL P15104 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8844113 0.94 GSR (0.47) CPB2LMNACYP3A4NFKB1BLM
SCHEMBL8844273 0.93 GSR (0.46) CPB2LMNACYP3A4NFKB1BLM
SCHEMBL8844107 0.93 GSR (0.46) CPB2LMNACYP3A4NFKB1BLM
SCHEMBL8843499 0.88 GABRR1 (0.40) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL8843534 0.83 GABRR1 (0.35) CPB2LMNACYP3A4NFKB1BLM
SCHEMBL8842491 0.82 FOLH1 (0.35) LMNABLMBHMTFOLH1GLUL
SCHEMBL8842798 0.81 FOLH1 (0.34) BHMTFOLH1GLUL
SCHEMBL8842970 0.81 FDPS (0.50)
SCHEMBL8843633 0.79 ANPEP (0.41) LMNABLMFOLH1GLULALDH1A1
SCHEMBL8842630 0.79 FDPS (0.52)

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
CN-1043423-C New phosphonosuccinic acid derivatives processes for the preparation thereof and pharmaceutical compositions containing these compounds BOEHRINGER MANNHEIM GMBH (DE) 1999-05-19 CN disclosed
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