SCHEMBL8777976

SCHEMBL8777976

COc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccn2)c(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
HTT P42858 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 4/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F10 P00742 1/20 0.40
OPRK1 P41145 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
Hydrochloric Acid SCHEMBL8777867 0.99 TSHR (0.58) TSHRHTTGAALMNAPOLB
SCHEMBL8778002 0.92 F10 (0.47) TSHRHTTGAALMNAKMT2A
SCHEMBL8778045 0.91 TSHR (0.49) TSHRHTTGAALMNAPOLB
SCHEMBL8777846 0.88 GAA (0.58) TSHRHTTGAAPOLBKMT2A
SCHEMBL8778102 0.87 TSHR (0.48) TSHRGAAKMT2AMEN1ALDH1A1
SCHEMBL8777940 0.83 TSHR (0.44) TSHRGAALMNAPOLBKMT2A
SCHEMBL8708827 0.82 TSHR (0.56) TSHRHTTGAALMNAPOLB
SCHEMBL8777926 0.81 KMT2A (0.63) TSHRGAAKMT2AMEN1ALDH1A1
SCHEMBL8777987 0.81 TRPV1 (0.49) GAALMNAKMT2AMEN1ALDH1A1
SCHEMBL8777896 0.78 USP2 (0.45) LMNAPOLBALDH1A1F10

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