SCHEMBL18801541

SCHEMBL18801541

CCOC(=O)C(C)NP(=O)(CO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MMP8 P22894 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIN1 Q13526 1/20 0.41
ELANE P08246 1/20 0.41
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL22837347 0.81 POLB (0.50) BTN3A1POLBALDH1A1TSHRMEN1
SCHEMBL18801782 0.79 BTN3A1 (0.69) BTN3A1POLBALDH1A1TSHRMEN1
SCHEMBL22837346 0.79 POLB (0.48) BTN3A1POLBALDH1A1TSHRMEN1
SCHEMBL16587319 0.79 BTN3A1 (0.69) BTN3A1POLBALDH1A1TSHRMEN1
SCHEMBL13522954 0.79 BTN3A1 (0.69) BTN3A1POLBALDH1A1TSHRMEN1
SCHEMBL16926802 0.79 BTN3A1 (0.69) BTN3A1POLBALDH1A1TSHRMEN1
SCHEMBL19986747 0.79 BTN3A1 (0.69) BTN3A1POLBALDH1A1TSHRMEN1
SCHEMBL16015978 0.77 BTN3A1 (0.60) BTN3A1POLBALDH1A1TSHRMEN1
SCHEMBL12746449 0.74 BTN3A1 (0.58) BTN3A1POLBALDH1A1TSHRMEN1
SCHEMBL18583602 0.74 BTN3A1 (0.58) BTN3A1POLBALDH1A1TSHRMEN1

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
EP-2710019-B1 PROCESSES AND INTERMEDIATES FOR PREPARING ANTI-HIV AGENTS GILEAD SCIENCES INC (US) 2017-05-03 EP disclosed