SCHEMBL8844273

SCHEMBL8844273

NCCCCCC(C(=O)O)C(C(=O)O)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.46
CPB2 Q96IY4 6/20 0.44
RNPEP Q9H4A4 1/20 0.44
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLG P00747 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC6A2 P23975 1/20 0.36
RECQL P46063 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
FOLH1 Q04609 1/20 0.36
FDPS P14324 1/20 0.35
BHMT Q93088 1/20 0.35

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
SCHEMBL8844107 1.00 GSR (0.46) GSRCPB2RNPEPLMNACYP3A4
SCHEMBL8844113 0.98 GSR (0.47) GSRCPB2RNPEPLMNACYP3A4
SCHEMBL8843565 0.93 CPB2 (0.41) GSRCPB2RNPEPLMNACYP3A4
SCHEMBL8843499 0.85 GABRR1 (0.40) LMNACYP3A4NFKB1BLMPMP22
SCHEMBL9117263 0.81 GSR (0.48) GSRCPB2RNPEPLMNACYP3A4
SCHEMBL8842798 0.81 FOLH1 (0.34) FOLH1FDPSBHMT
SCHEMBL8842630 0.80 FDPS (0.52) FDPSLAP3
SCHEMBL8842491 0.79 FOLH1 (0.35) LMNABLMMEN1KMT2AFOLH1
SCHEMBL8842970 0.78 FDPS (0.50) FDPSLAP3
SCHEMBL8843534 0.77 GABRR1 (0.35) GSRCPB2RNPEPLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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