SCHEMBL8656363

SCHEMBL8656363

CCCCC(CC)CN1C(C)=CC(=C(C#N)C(=O)OCC)C=C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ TSHR P16473 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5720606 0.84 ALDH1A1 (0.49) ALDH1A1MAPK1LMNAKDM4ESMN1; SMN2
SCHEMBL4345694 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1LMNAKDM4ESMN1; SMN2
SCHEMBL5720585 0.80 ALDH1A1 (0.45) ALDH1A1MAPK1LMNAKDM4ESMN1; SMN2
SCHEMBL5720659 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1LMNAKDM4EMAPT
SCHEMBL14447733 0.74 MAPT (0.44) ALDH1A1MAPK1LMNAKDM4ESMN1; SMN2
SCHEMBL13223786 0.74 MAPT (0.47) ALDH1A1MAPK1LMNAKDM4ESMN1; SMN2
SCHEMBL4333847 0.73 ALDH1A1 (0.44) ALDH1A1MAPK1LMNAKDM4ESMN1; SMN2
SCHEMBL14448679 0.72 MAPT (0.44) ALDH1A1MAPK1KDM4ESMN1; SMN2MAPT
SCHEMBL8653520 0.72 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL13223784 0.70 MAPT (0.43) ALDH1A1MAPK1KDM4ESMN1; SMN2MAPT

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-5719690-A Photorefractive glass article INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1998-02-17 — — US disclosed
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