SCHEMBL4632275

SCHEMBL4632275

CCCOc1ccc(-c2cccc(C(N)=O)c2)cc1C(=O)NC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.55
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
SLC6A9 P48067 1/20 0.43
PLK1 P53350 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 1/20 0.41
FLT1 P17948 2/20 0.41
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
CREBBP Q92793 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
S1PR1 P21453 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL4632278 0.91 PTPN11 (0.55) PTPN11SLC6A9PLK1PDE4DMAPT
SCHEMBL4601747 0.85 PTPN11 (0.69) PTPN11PPARDPPARASLC6A9PLK1
SCHEMBL14611096 0.82 PTPN11 (0.58) PTPN11SLC6A9MAPTHSD17B10CREBBP
SCHEMBL4600952 0.78 PTPN11 (0.85) PTPN11PPARDPPARASLC6A9CREBBP
SCHEMBL14610445 0.78 PTPN11 (0.55) PTPN11SLC6A9PDE4DMAPTHSD17B10
SCHEMBL14610792 0.77 IKBKB (0.56) PTPN11SLC6A9PDE4DMAPTHSD17B10
SCHEMBL14610866 0.77 PTPN11 (0.51) PTPN11MAPTHSD17B10FLT3MEN1
SCHEMBL14610581 0.77 PTPN11 (0.51) PTPN11SLC6A9PDE4DMAPTHSD17B10
SCHEMBL4600786 0.76 PTPN11 (0.73) PTPN11SLC6A9CREBBPFNTAFNTB
SCHEMBL14610802 0.76 PTPN11 (0.50) PTPN11PDE4DMAPTHSD17B10PPARG

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-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed