SCHEMBL14613458

SCHEMBL14613458

CCOC(=O)[C@H](C)NP(=O)(CCNCCN)Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 12/20 0.62
ALDH1A1 P00352 1/20 0.39
HPRT1 P00492 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRTN3 P24158 1/20 0.38

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
SCHEMBL13538536 0.91 BTN3A1 (0.65) BTN3A1HPRT1LMNATDP1F2
SCHEMBL14042943 0.91 BTN3A1 (0.67) BTN3A1HPRT1LMNATDP1F2
SCHEMBL1374978 0.91 BTN3A1 (0.67) BTN3A1HPRT1LMNATDP1F2
SCHEMBL3182471 0.91 BTN3A1 (0.67) BTN3A1HPRT1LMNATDP1F2
SCHEMBL14260054 0.88 BTN3A1 (0.67) BTN3A1LMNATDP1F2PLG
SCHEMBL16587340 0.87 BTN3A1 (0.65) BTN3A1HPRT1LMNATDP1F2
SCHEMBL14260057 0.86 BTN3A1 (0.65) BTN3A1ALDH1A1LMNATDP1F2
SCHEMBL13538537 0.86 BTN3A1 (0.67) BTN3A1LMNATDP1F2PLG
SCHEMBL14440300 0.86 BTN3A1 (0.67) BTN3A1LMNATDP1F2PLG
SCHEMBL19441149 0.86 BTN3A1 (0.70) BTN3A1LMNATDP1F2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007014352-A2 ANTIVIRAL PHOSPHONATE CONJUGATES FOR INHIBITION OF HIV GILEAD SCIENCES, INC. (US) 2007-02-01 WO disclosed