SCHEMBL14448768

SCHEMBL14448768

CC1=CC(=C(C#N)C(=O)OCC(C)C)C=C(C)N1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.38
▸ ALDH1A1 P00352 12/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ MAPT P10636 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HPGD P15428 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL14448132 0.91 KDM4E (0.33) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13223786 0.89 MAPT (0.47) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL14447750 0.81 TSHR (0.40) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL14448770 0.79 ALDH1A1 (0.34) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL14448771 0.79 ALDH1A1 (0.39) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL14447733 0.78 MAPT (0.44) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL14448679 0.68 MAPT (0.44) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL13223784 0.66 MAPT (0.43) TSHRALDH1A1KDM4EMAPTMEN1
Bucrylate SCHEMBL168360 0.66 TSHR (0.62) TSHRALDH1A1KDM4EMAPTMEN1
SCHEMBL14448682 0.65 MAPT (0.42) TSHRALDH1A1KDM4EMAPTMEN1

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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