SCHEMBL14447749

SCHEMBL14447749

CCOC(C)OC(=O)C(C#N)=C1C=C(C)N(C(C)CC)C(C)=C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ HPGD P15428 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL14447733 0.86 MAPT (0.44) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL14447748 0.80 TSHR (0.36) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL14447752 0.79 ALDH1A1 (0.34) MAPTALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL14447751 0.78 L3MBTL1 (0.34) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL13223786 0.76 MAPT (0.47) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL14448768 0.69 TSHR (0.38) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL462000 0.67 ALDH1A1 (0.56) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL3388540 0.64 LMNA (0.55) ALDH1A1TSHR
SCHEMBL14448679 0.63 MAPT (0.44) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL8656363 0.63 ALDH1A1 (0.43) KDM4EMEN1MAPTKMT2AALDH1A1

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-20070184386-A1 Optical recording material and optical recording medium MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-09 — — US disclosed
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