SCHEMBL8778045

SCHEMBL8778045

CC(C)(C)c1cc(C(=O)Nc2ccccc2NC(=O)N(Cc2ccccc2)Cc2ccccn2)cc(C(C)(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 4/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
TRPV1 Q8NER1 2/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
MAOB P27338 2/20 0.40
PTGES O14684 1/20 0.40
RAF1 P04049 1/20 0.38
MAP2K1 Q02750 1/20 0.38

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
SCHEMBL8777976 0.91 TSHR (0.59) TSHRMEN1KMT2AGAALMNA
SCHEMBL8777987 0.90 TRPV1 (0.49) MEN1KMT2AGAALMNANPSR1
Hydrochloric Acid SCHEMBL8777867 0.90 TSHR (0.58) TSHRMEN1KMT2AGAALMNA
SCHEMBL8803952 0.85 GAA (0.51) TSHRMEN1KMT2AGAALMNA
SCHEMBL8806659 0.84 TSHR (0.46) TSHRMEN1KMT2AGAALMNA
SCHEMBL8806653 0.84 TSHR (0.46) TSHRMEN1KMT2AGAALMNA
SCHEMBL8778002 0.80 F10 (0.47) TSHRMEN1KMT2AGAALMNA
SCHEMBL8802464 0.78 GAA (0.47) TSHRMEN1KMT2AGAALMNA
SCHEMBL8777846 0.77 GAA (0.58) TSHRMEN1KMT2AGAAPOLB
SCHEMBL8708827 0.77 TSHR (0.56) TSHRMEN1KMT2AGAALMNA

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