SCHEMBL11629147

SCHEMBL11629147

Oc1c(Cc2cc(C3CCCC3)cc(C3CCCC3)c2O)cc(C2CCCC2)cc1C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NUDT1 P36639 1/20 0.35
BACE1 P56817 1/20 0.35
ACMSD Q8TDX5 2/20 0.34
EPHX2 P34913 1/20 0.33
CNR1 P21554 4/20 0.32
CNR2 P34972 4/20 0.32
HSP90AA1 P07900 1/20 0.32
HTR2A P28223 2/20 0.31
ESR1 P03372 5/20 0.31
ESR2 Q92731 5/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL11628836 0.90 NUDT1 (0.38) KDM4EMEN1MAPTKMT2AHDAC4
SCHEMBL11342049 0.84 KDM4E (0.39) KDM4EMEN1MAPTKMT2AHDAC4
SCHEMBL11609703 0.84 KDM4E (0.36) KDM4EMEN1MAPTKMT2AHDAC4
SCHEMBL14702180 0.84 KDM4E (0.42) KDM4EMEN1MAPTKMT2AHDAC4
SCHEMBL2088699 0.84 KDM4E (0.44) KDM4EMEN1MAPTKMT2AHDAC4
SCHEMBL12161247 0.83 NUDT1 (0.41) KDM4EMEN1MAPTKMT2AHDAC4
SCHEMBL11799540 0.82 KMT2A (0.47) KDM4EMEN1MAPTKMT2AHDAC4
SCHEMBL39261 0.82 KMT2A (0.47) KDM4EMEN1MAPTKMT2AHDAC4
SCHEMBL17446312 0.81 KDM4E (0.41) KDM4EMEN1MAPTKMT2ANUDT1
SCHEMBL11595709 0.80 AMY1A (0.44) KDM4EMEN1MAPTKMT2ANUDT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4066562-A ANTIOXIDANT ETHYL CORPORATION (US) 1978-01-03 US claimed
US-4066562-A ANTIOXIDANT ETHYL CORPORATION (US) 1978-01-03 US disclosed