SCHEMBL14066485

SCHEMBL14066485

C=CCOC(=O)CCC(=O)OCc1ccccc1C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 7/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
DHODH Q02127 1/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 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
SCHEMBL4680610 0.89 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRHSD17B10MMP9
SCHEMBL4683771 0.86 FFAR1 (0.46) CYP3A4ALDH1A1TSHRMMP9MMP1
SCHEMBL4680464 0.79 ALDH1A1 (0.45) CYP3A4ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL4681298 0.78 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHRMMP9MMP1
SCHEMBL4683969 0.76 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL11064051 0.75 PKM (0.57) CYP3A4ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL3732372 0.75 ALDH1A1 (0.59) ALDH1A1MMP9MMP1MAPK1L3MBTL1
SCHEMBL9706812 0.74 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHRMMP9MMP1
SCHEMBL5353557 0.74 ALDH1A1 (0.42) CYP3A4ALDH1A1TSHRMMP9MMP1
SCHEMBL4679934 0.74 ALDH1A1 (0.42) CYP3A4ALDH1A1TSHRMMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed