SCHEMBL8797185

SCHEMBL8797185

CCCC(=O)C1Oc2ccccc2C(=O)N1CCOc1ccc(CC2NC(=O)SC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
FFAR1 O14842 4/20 0.36
USP2 O75604 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARG P37231 6/20 0.33
PPARA Q07869 2/20 0.33
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.33
PDE6D O43924 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL8797357 0.85 HRH3 (0.38) HRH3FFAR1USP2KDM4CKDM4A
SCHEMBL8797183 0.85 PPARG (0.49) HRH3FFAR1PPARG
SCHEMBL8796972 0.76 HRH3 (0.37) HRH3FFAR1USP2KDM4CKDM4A
SCHEMBL8798492 0.76 HRH3 (0.38) HRH3FFAR1USP2KDM4CKDM4A
SCHEMBL6953755 0.76 HRH3 (0.40) HRH3FFAR1PPARG
SCHEMBL9143100 0.75 HPGD (0.54) KMT2AHRH3FFAR1POLBL3MBTL1
SCHEMBL8798105 0.73 HRH3 (0.44) HRH3FFAR1USP2KDM4CKDM4A
SCHEMBL9326656 0.73 HRH3 (0.48) KMT2AHRH3FFAR1KDM4CPPARG
SCHEMBL8576970 0.72 TSHR (0.36) KMT2AFFAR1TSHRKDM4EALDH1A1
SCHEMBL8796899 0.71 GAA (0.38) KMT2AHRH3USP2KDM4CKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed