SCHEMBL8807262

SCHEMBL8807262

Cc1cc(C)c(NC(=O)N(Cc2ccc(Oc3cccc(F)c3)cc2)C2CCCCCC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
UBE2M P61081 6/20 0.43
DCUN1D1 Q96GG9 6/20 0.43
TP53 P04637 4/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
THRB P10828 1/20 0.41
AGER Q15109 2/20 0.40
MTNR1A P48039 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A9 P48067 1/20 0.38
ABL1 P00519 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
SCHEMBL8809508 0.91 TP53 (0.50) HTR2CGAANPSR1UBE2MDCUN1D1
SCHEMBL8809108 0.90 GAA (0.48) GAANPSR1UBE2MDCUN1D1TP53
SCHEMBL9057173 0.90 TP53 (0.51) HTR2CGAANPSR1UBE2MDCUN1D1
SCHEMBL8814133 0.87 THRB (0.49) GAANPSR1UBE2MDCUN1D1TP53
SCHEMBL8807322 0.86 GAA (0.46) GAANPSR1UBE2MDCUN1D1TP53
SCHEMBL8810779 0.85 NPSR1 (0.47) GAANPSR1UBE2MDCUN1D1TP53
SCHEMBL8807965 0.85 GAA (0.47) GAANPSR1UBE2MDCUN1D1TP53
SCHEMBL8808422 0.83 TP53 (0.52) GAANPSR1UBE2MDCUN1D1TP53
SCHEMBL9057006 0.83 LMNA (0.49) GAANPSR1UBE2MDCUN1D1TP53
SCHEMBL8808845 0.81 GAA (0.51) GAANPSR1UBE2MDCUN1D1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed