SCHEMBL9819573

SCHEMBL9819573

CC(C)(C)OC(=O)CCCCC(N)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ MAPT P10636 4/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MGLL Q99685 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NR1D1 P20393 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37

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
SCHEMBL4423862 0.81 MMP2 (0.53) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL2387943 0.81 MMP2 (0.53) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL8740500 0.81 MMP2 (0.53) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL30864656 0.80 BCL9 (0.49) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL26601519 0.80 BCL9 (0.49) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL30864492 0.79 BCL9 (0.51) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL27008578 0.78 BCL9 (0.45) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL7275811 0.77 BCL9 (0.50) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL9840744 0.77 BCL9 (0.50) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL29400871 0.77 PPARG (0.51) BCL9CTNNB1MAPTCRHBPCRHR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366685-A4 NUCLEOSIDE DERIVATIVES — 1991-03-20 — — EP disclosed
EP-0366685-A1 NUCLEOSIDE DERIVATIVES. FLOREY HOWARD INST (AU) 1990-05-09 — — EP disclosed
WO-1988010264-A1 NUCLEOSIDE DERIVATIVES HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY (AU) 1988-12-29 — — WO disclosed
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