SCHEMBL15499141

SCHEMBL15499141

COc1cc(-c2ccc(-c3ccc(C(=O)c4ccc(OCCOCCOC(C)=O)cc4)cc3)c(OC)c2)ccc1-c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM1A O60341 2/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MMP2 P08253 3/20 0.41
▸ MMP3 P08254 2/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ VNN1 O95497 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38

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
SCHEMBL15496887 0.93 MAPT (0.48) MAPTALDH1A1L3MBTL1LMNARARB
SCHEMBL15499142 0.92 KDM1A (0.42) MAPTALDH1A1KDM1AL3MBTL1LMNA
SCHEMBL15499140 0.91 MAPT (0.48) MAPTALDH1A1KDM1AL3MBTL1LMNA
SCHEMBL15499143 0.91 KDM1A (0.41) MAPTALDH1A1KDM1AL3MBTL1LMNA
SCHEMBL15496873 0.89 LMNA (0.45) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL15499161 0.86 MAPT (0.60) MAPTALDH1A1MMP2MMP3VNN1
SCHEMBL15499129 0.85 AKR1C3 (0.44) MAPTALDH1A1L3MBTL1LMNAROCK2
SCHEMBL15496885 0.83 PDE4A (0.43) MAPTALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL15496886 0.82 MAPT (0.41) MAPTALDH1A1L3MBTL1LMNACYP3A4
SCHEMBL15496875 0.79 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2

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
US-20140064053-A1 NON-RESONANT TWO-PHOTON ABSORPTION MATERIAL, NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, RECORDING MEDIUM, RECORDING/REPRODUCING METHOD AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2014-03-06 — — US disclosed
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