SCHEMBL9396856

SCHEMBL9396856

CC(C)(C)OC(=O)N1CCN(c2ccc(O)cc2)CC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.62
▸ LMNA P02545 3/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ GPR119 Q8TDV5 7/20 0.55
▸ NAMPT P43490 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ DDB1 Q16531 1/20 0.50
▸ CRBN Q96SW2 1/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ PDK2 Q15119 1/20 0.48

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
SCHEMBL381360 0.94 MAPT (0.68) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL13279526 0.90 MAPT (0.64) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL13281422 0.89 MAPT (0.62) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL5573222 0.88 MAPT (0.76) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL26823793 0.83 MEN1 (0.57) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL2056118 0.82 GPR119 (0.77) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL15441763 0.82 GPR119 (0.81) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL2454198 0.81 MAPT (0.64) MAPTLMNAALDH1A1KDM4EGPR119
SCHEMBL2455257 0.81 MAPT (0.64) MAPTLMNAALDH1A1KDM4EGPR119
SCHEMBL20142379 0.81 ALDH1A1 (0.67) MAPTLMNAALDH1A1GPR119NAMPT

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
WO-1994020497-A1 PYRROLO-PYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-15 — — WO disclosed
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