SCHEMBL16587336

SCHEMBL16587336

CCCOC(=O)[C@H](C)N[P@@](=O)(CO)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 12/20 0.57
LMNA P02545 1/20 0.44
PRTN3 P24158 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL18256378 1.00 BTN3A1 (0.57) BTN3A1LMNAPRTN3MEN1KMT2A
SCHEMBL16587342 1.00 BTN3A1 (0.57) BTN3A1LMNAPRTN3MEN1KMT2A
SCHEMBL21158058 0.92 BTN3A1 (0.55) BTN3A1LMNAPRTN3MEN1KMT2A
SCHEMBL21158529 0.92 BTN3A1 (0.55) BTN3A1LMNAPRTN3MEN1KMT2A
SCHEMBL16587331 0.91 BTN3A1 (0.54) BTN3A1LMNAPRTN3MEN1KMT2A
SCHEMBL13522954 0.89 BTN3A1 (0.69) BTN3A1LMNAMEN1KMT2AELANE
SCHEMBL18801782 0.89 BTN3A1 (0.69) BTN3A1LMNAMEN1KMT2AELANE
SCHEMBL19986747 0.89 BTN3A1 (0.69) BTN3A1LMNAMEN1KMT2AELANE
SCHEMBL16926802 0.89 BTN3A1 (0.69) BTN3A1LMNAMEN1KMT2AELANE
SCHEMBL16587319 0.89 BTN3A1 (0.69) BTN3A1LMNAMEN1KMT2AELANE

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
US-8987437-B2 Processes and intermediates for preparing anti-HIV Agents GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed