SCHEMBL19441122

SCHEMBL19441122

CCOC(=O)[C@H](C)N[P@](=O)(COCc1ccccc1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 9/20 0.58
ELANE P08246 2/20 0.46
PRTN3 P24158 2/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.43
KLK1 P06870 1/20 0.40
HPRT1 P00492 1/20 0.40

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
SCHEMBL19441127 1.00 BTN3A1 (0.58) BTN3A1ELANEPRTN3LMNAL3MBTL1
SCHEMBL19189604 1.00 BTN3A1 (0.58) BTN3A1ELANEPRTN3LMNAL3MBTL1
SCHEMBL19189391 1.00 BTN3A1 (0.58) BTN3A1ELANEPRTN3LMNAL3MBTL1
SCHEMBL19441135 1.00 BTN3A1 (0.58) BTN3A1ELANEPRTN3LMNAL3MBTL1
SCHEMBL19189363 0.91 BTN3A1 (0.48) BTN3A1ELANEPRTN3LMNAKLK1
SCHEMBL14260318 0.89 BTN3A1 (0.61) BTN3A1ELANEPRTN3LMNAL3MBTL1
SCHEMBL30897058 0.88 BTN3A1 (0.58) BTN3A1ELANEPRTN3KLK1
SCHEMBL28197011 0.86 BTN3A1 (0.46) BTN3A1ELANELMNAL3MBTL1HSD17B10
SCHEMBL28197008 0.86 BTN3A1 (0.46) BTN3A1ELANELMNAL3MBTL1HSD17B10
SCHEMBL18256417 0.85 BTN3A1 (0.62) BTN3A1ELANEPRTN3LMNAL3MBTL1

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-9783567-B2 Processes and intermediates for preparing anti-HIV agents GILEAD SCIENCES, INC. (US) 2017-10-10 US disclosed