SCHEMBL8778002

SCHEMBL8778002

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.47
TSHR P16473 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PTGES O14684 3/20 0.42
LPAR1 Q92633 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8777846 0.92 GAA (0.58) F10TSHRHTTGAAMEN1
SCHEMBL8777976 0.92 TSHR (0.59) F10TSHRHTTGAAMEN1
Hydrochloric Acid SCHEMBL8777867 0.91 TSHR (0.58) F10TSHRHTTGAAMEN1
SCHEMBL8777987 0.89 TRPV1 (0.49) GAAMEN1KMT2AALDH1A1NPSR1
SCHEMBL8777896 0.85 USP2 (0.45) F10ALDH1A1NPSR1MAPTLMNA
SCHEMBL8778045 0.80 TSHR (0.49) TSHRHTTGAAMEN1KMT2A
SCHEMBL8778102 0.79 TSHR (0.48) F10TSHRGAAMEN1KMT2A
SCHEMBL8777912 0.77 F10 (0.46) F10TSHRGAAMEN1KMT2A
SCHEMBL8778019 0.76 MAOB (0.67) TSHRMEN1KMT2AKDM4EMAOB
SCHEMBL11145102 0.76 POLB (0.65) TSHRHTTGAAMEN1KMT2A

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