SCHEMBL6743952

SCHEMBL6743952

C=C(CCCCCCCOc1ccccc1-c1ccccc1)C(=O)OOCCCC(O)CC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.44
ALDH1A1 P00352 10/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL9228166 0.81 ADRB2 (0.55) KDM4EALDH1A1PKMKMT2AMEN1
SCHEMBL9953483 0.77 KDM4E (0.59) KDM4EALDH1A1PKMKMT2AMEN1
SCHEMBL19458858 0.77 KDM4E (0.59) KDM4EALDH1A1PKMKMT2AMEN1
SCHEMBL6744564 0.76 KDM4E (0.48) KDM4EALDH1A1PKMKMT2AMEN1
SCHEMBL19458668 0.75 KDM4E (0.60) KDM4EALDH1A1PKMKMT2AMEN1
SCHEMBL5404661 0.74 HDAC1 (0.43)
SCHEMBL15709637 0.72 SOAT1 (0.49) KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL450012 0.71 LMNA (0.58) KDM4EALDH1A1PKMKMT2AMEN1
SCHEMBL8444306 0.71 KDM4E (0.49) KDM4EALDH1A1PKMKMT2AMEN1
SCHEMBL8353116 0.71 KDM4E (0.61) KDM4EALDH1A1KMT2AMEN1SMN1; 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-6696114-B1 POLARIZED ULTRAVIOLET RADIATED HYDROCARBON, (METH)ACRYLATE, OR SILOXANE POLYMER HAYASHI TELEMPU CO., LTD. (JP) 2004-02-24 US disclosed