SCHEMBL8777846

SCHEMBL8777846

COc1ccc(NC(=O)N(Cc2ccccc2)Cc2cccnc2)c(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TSHR P16473 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HDAC1 Q13547 3/20 0.44
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL8778002 0.92 F10 (0.47) GAAHTTKDM4EMAPK1NPSR1
SCHEMBL8777976 0.88 TSHR (0.59) GAAHTTKDM4ETSHRPOLB
Hydrochloric Acid SCHEMBL8777867 0.87 TSHR (0.58) GAAHTTKDM4ETSHRPOLB
SCHEMBL8777987 0.82 TRPV1 (0.49) GAANPSR1HDAC1ALDH1A1MAPT
SCHEMBL8777896 0.79 USP2 (0.45) NPSR1POLBALDH1A1MAPTUSP2
SCHEMBL8778045 0.77 TSHR (0.49) GAAHTTNPSR1TSHRPOLB
SCHEMBL8778102 0.76 TSHR (0.48) GAAKDM4ENPSR1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL8798247 0.72 GAA (0.47) GAAHTTKDM4EHSD17B10MAPK1
SCHEMBL8777926 0.72 KMT2A (0.63) GAAKDM4EHSD17B10TSHRSMN1; SMN2
SCHEMBL8777912 0.71 F10 (0.46) GAAMAPK1TSHRABCB1MAPT

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