SCHEMBL3469074

SCHEMBL3469074

C=C(C)C(=O)OC.C=CC(=O)OCCCC.CC(=CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 5/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
THRB P10828 1/20 0.37

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
Water SCHEMBL4244899 0.92 KDM4E (0.53) KDM4ETDP1MEN1KMT2APOLB
SCHEMBL760166 0.92 KDM4E (0.55) KDM4ETDP1MEN1KMT2APOLB
Acrylic Acid Ethyl Ester SCHEMBL9161269 0.90 ALDH1A1 (0.49) KDM4ETDP1MEN1KMT2APOLB
Methacrylic Acid SCHEMBL16908400 0.88 KDM4E (0.48) KDM4ETDP1MEN1KMT2APOLB
SCHEMBL991540 0.88 TDP1 (0.50) KDM4ETDP1MEN1KMT2APOLB
SCHEMBL4243868 0.87 KDM4E (0.60) KDM4ETDP1MEN1KMT2APOLB
Juarezic Acid SCHEMBL11394473 0.87 TDP1 (0.49) KDM4ETDP1MEN1KMT2APOLB
Styrene SCHEMBL1092583 0.85 TSHR (0.50) KDM4ETDP1POLBHPGDTSHR
SCHEMBL28004391 0.85 TDP1 (0.47) KDM4ETDP1MEN1KMT2APOLB
Styrene SCHEMBL464929 0.85 TSHR (0.52) KDM4ETDP1POLBHPGDTSHR

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-20100035171-A1 YELLOW TONER CANON KABUSHIKI KAISHA (JP) 2010-02-11 US disclosed