SCHEMBL7705642

SCHEMBL7705642

CCc1nc2ccc(C(=O)NS(=O)(=O)CCOC)cc2n1C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.46
ACSS2 Q9NR19 5/20 0.42
PPARG P37231 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
AGTR1 P30556 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
SCHEMBL1178788 0.81 PTGER4 (0.50) PTGER4PPARGAGTR1
SCHEMBL8556792 0.79 ACSS2 (0.48) ACSS2PPARGAGTR1
SCHEMBL1160137 0.72 PPARG (0.53) PPARGAGTR1
SCHEMBL1159886 0.71 PPARG (0.56) PPARGAGTR1
SCHEMBL1160063 0.71 PPARG (0.50) PTGER4PPARGAGTR1
SCHEMBL1159974 0.70 PPARG (0.65) PTGER4PPARGHDAC6HDAC1
SCHEMBL1179934 0.70 PPARG (0.51) PTGER4ACSS2PPARG
SCHEMBL1160151 0.70 PPARG (0.51) ACSS2PPARG
SCHEMBL1160263 0.69 PTPN1 (0.47) PPARGAGTR1
SCHEMBL1159998 0.69 PPARG (0.48) PPARGAGTR1

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
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed