SCHEMBL6567927

SCHEMBL6567927

C[C@H](NP(=O)(Oc1ccc(C(C)(C)C)cc1)Oc1ccc(C(C)(C)C)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 4/20 0.58
▸ ELANE P08246 2/20 0.49
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PRTN3 P24158 2/20 0.47
▸ PLAU P00749 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KLK1 P06870 1/20 0.42

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
SCHEMBL24148685 0.92 BTN3A1 (0.51) BTN3A1ELANEPOLBGAACYP2C19
SCHEMBL18973549 0.90 BTN3A1 (0.60) BTN3A1ELANEPRTN3PLAUKMT2A
SCHEMBL24505391 0.90 BTN3A1 (0.60) BTN3A1ELANEPRTN3PLAUKMT2A
SCHEMBL6567925 0.90 BTN3A1 (0.48) BTN3A1ELANEPOLBGAACYP2C19
SCHEMBL18973481 0.86 BTN3A1 (0.55) BTN3A1ELANEGAAPRTN3PLAU
SCHEMBL18973564 0.86 BTN3A1 (0.55) BTN3A1ELANEPRTN3PLAUKMT2A
SCHEMBL18973567 0.86 BTN3A1 (0.55) BTN3A1ELANEPRTN3KMT2AALDH1A1
SCHEMBL18973471 0.86 TP53 (0.56) BTN3A1ELANEGAAPRTN3KMT2A
SCHEMBL12094256 0.85 BTN3A1 (0.56) BTN3A1ELANEPRTN3PLAUKMT2A
SCHEMBL22066287 0.83 BTN3A1 (0.52) BTN3A1ELANEPRTN3KMT2AMEN1

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
EP-1404694-A1 NUCLEOSIDE COMPOUNDS IN HCV GLAXO GROUP LIMITED (GB) 2004-04-07 — — EP disclosed
WO-2003000713-A1 NUCLEOSIDE COMPOUNDS IN HCV GLAXO GROUP LIMITED (GB) 2003-01-03 — — WO disclosed
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