SCHEMBL4315484

SCHEMBL4315484

CCCCCCC(=O)c1cc(C(=O)CCCCCC)c(N)c(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.44
STS P08842 4/20 0.43
CA2 P00918 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
CDC25B P30305 1/20 0.42
HTT P42858 1/20 0.41
FFAR1 O14842 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
GALK1 P51570 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28417359 0.82 ALDH1A1 (0.48) HSD17B3PTPN2PTPN1CDC25BHTT
SCHEMBL28413752 0.82 ALDH1A1 (0.48) HSD17B3PTPN2PTPN1CDC25BHTT
SCHEMBL28417411 0.82 ALDH1A1 (0.48) HSD17B3PTPN2PTPN1CDC25BHTT
SCHEMBL334229 0.80 ESR1 (0.51) HSD17B3PTPN2PTPN1CDC25BHTT
SCHEMBL10730928 0.77 GAA (0.54) HSD17B3
SCHEMBL10609655 0.76 HSD17B3 (0.54) HSD17B3STSCA2HTTFFAR1
SCHEMBL27339010 0.75 ALDH1A1 (0.47) PTPN2PTPN1CDC25BKDM4EPOLB
SCHEMBL28835963 0.74 THRA (0.47) HSD17B3STSCA2HTTFFAR1
SCHEMBL13509256 0.74 HSD17B3 (0.67) HSD17B3STSCDC25B
SCHEMBL2655962 0.74 HSD17B3 (0.67) HSD17B3STSCDC25B

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
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed