SCHEMBL6567925

SCHEMBL6567925

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.48
▸ POLB P06746 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ ELANE P08246 2/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ PRTN3 P24158 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NR4A2 P43354 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41

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
SCHEMBL6567927 0.90 BTN3A1 (0.58) BTN3A1POLBGAACYP2C19PLAU
SCHEMBL17465458 0.89 ELANE (0.55) BTN3A1PLAUELANEALDH1A1PRTN3
SCHEMBL19685666 0.89 ELANE (0.55) BTN3A1PLAUELANEALDH1A1PRTN3
SCHEMBL24148685 0.82 BTN3A1 (0.51) BTN3A1POLBGAACYP2C19PLAU
SCHEMBL30337877 0.80 GAA (0.48) POLBGAACYP2C19KMT2AALDH1A1
SCHEMBL28986510 0.80 GAA (0.48) POLBGAACYP2C19KMT2AALDH1A1
SCHEMBL18973549 0.79 BTN3A1 (0.60) BTN3A1PLAUELANEKMT2AALDH1A1
SCHEMBL24505391 0.79 BTN3A1 (0.60) BTN3A1PLAUELANEKMT2AALDH1A1
SCHEMBL12621321 0.78 BTN3A1 (0.44) BTN3A1PLAUELANEPRTN3
SCHEMBL13921734 0.77 ELANE (0.55) BTN3A1PLAUELANEALDH1A1LMNA

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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