SCHEMBL8777987

SCHEMBL8777987

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOB P27338 3/20 0.47
PTGES O14684 3/20 0.47
TOP1 P11387 1/20 0.45
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 1/20 0.42
ABCC1 P33527 1/20 0.41
TNFRSF1A P19438 1/20 0.41
F2R P25116 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL8778045 0.90 TSHR (0.49) TRPV1ALDH1A1NPSR1MAOBPTGES
SCHEMBL8778002 0.89 F10 (0.47) ALDH1A1NPSR1MAOBPTGESMEN1
SCHEMBL8777846 0.82 GAA (0.58) ALDH1A1NPSR1MEN1GAAKMT2A
SCHEMBL8803611 0.82 TRPV1 (0.47) TRPV1ALDH1A1NPSR1MAOBPTGES
SCHEMBL8777976 0.81 TSHR (0.59) ALDH1A1MEN1GAAKMT2ARECQL
Hydrochloric Acid SCHEMBL8777867 0.81 TSHR (0.58) ALDH1A1MEN1GAAKMT2ARECQL
SCHEMBL8805518 0.80 TRPV1 (0.46) TRPV1ALDH1A1NPSR1MAOBPTGES
SCHEMBL8805516 0.80 TRPV1 (0.46) TRPV1ALDH1A1NPSR1MAOBPTGES
SCHEMBL3661171 0.77 TOP1 (0.57) ALDH1A1TOP1TOP2ATOP2BMEN1
SCHEMBL9417251 0.76 MEN1 (0.60) ALDH1A1MEN1GAAKMT2AMAPT

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