SCHEMBL9701897

SCHEMBL9701897

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 3/20 0.41
PAM P19021 1/20 0.38
POLB P06746 2/20 0.38
TSHR P16473 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HDAC3 O15379 1/20 0.36
BCHE P06276 4/20 0.35
ACHE P22303 2/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL10867479 0.93 KDM4E (0.45) KDM4ETDP1PAMPOLBTSHR
SCHEMBL5386590 0.88 TDP1 (0.47) KDM4ETDP1PAMPOLBTSHR
SCHEMBL10940136 0.87 KDM4E (0.42) KDM4ETDP1PAMPOLBTSHR
SCHEMBL1377626 0.87 TDP1 (0.46) KDM4ETDP1PAMPOLBTSHR
SCHEMBL12490541 0.85 KDM4E (0.57) KDM4ETDP1POLBTSHRMEN1
SCHEMBL11501816 0.85 KDM4E (0.39) KDM4ETDP1PAMPOLBTSHR
Styrene SCHEMBL251772 0.84 KDM4E (0.45) KDM4ETDP1POLBTSHRMEN1
SCHEMBL455010 0.84 KDM4E (0.51) KDM4ETDP1PAMPOLBTSHR
SCHEMBL8917316 0.83 KDM4E (0.45) KDM4ETDP1POLBTSHRMEN1
SCHEMBL7964778 0.83 KDM4E (0.37) KDM4ETDP1PAMPOLBTSHR

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
EP-0469973-A1 Method for forming relief patterns MITSUBISHI RAYON CO., LTD (JP) 1992-02-05 EP disclosed