SCHEMBL8777967

SCHEMBL8777967

CC(C)(C)c1cc(C(=O)Nc2cccnc2N(C(N)=O)C23CC4CC(CC(C4)C2)C3)cc(C(C)(C)C)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
EIF4H Q15056 1/20 0.35
P2RX7 Q99572 2/20 0.35
P2RX4 Q99571 1/20 0.35
P2RY1 P47900 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL8777889 0.79 SIGMAR1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8777850 0.79 HSD11B1 (0.38) P2RX7P2RX4HDAC3HDAC4HDAC1
SCHEMBL8777894 0.78 F10 (0.39) MEN1KMT2AP2RX7SMN1; SMN2CNR2
SCHEMBL8777963 0.76 EPHX2 (0.47) CNR2TSHRMAPK1NPSR1
SCHEMBL8777856 0.67 MAPT (0.51) NPSR1
SCHEMBL3891472 0.67 GLA (0.50) MEN1KMT2ATP53NPSR1
SCHEMBL8777865 0.66 HDAC1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8777892 0.66 EPHX2 (0.48) CNR2NPSR1
SCHEMBL3900251 0.66 PDE4D (0.60) MEN1KMT2APABPC1EIF4HSMN1; SMN2
SCHEMBL3661171 0.66 TOP1 (0.57) MEN1KMT2APOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed