SCHEMBL3984385

SCHEMBL3984385

CCCCCCCCOC(=O)c1cc(=S)[nH]c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.75
MMP2 P08253 1/20 0.61
MMP1 P03956 1/20 0.53
MMP9 P14780 1/20 0.53
MMP12 P39900 1/20 0.53
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 3/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7183176 0.86 GPR84 (1.00) GPR84MMP2MMP1MMP9MMP12
SCHEMBL11129320 0.86 GPR84 (1.00) GPR84MMP2MMP1MMP9MMP12
SCHEMBL10681299 0.86 GPR84 (1.00) GPR84MMP2MMP1MMP9MMP12
SCHEMBL2295495 0.80 GPR84 (0.89) GPR84MMP2MMP1MMP9MMP12
SCHEMBL28002724 0.72 MMP2 (0.65) GPR84MMP2MMP1MMP9MMP12
SCHEMBL5935742 0.71 GPR84 (0.58) GPR84MMP2MMP1MMP9MMP12
SCHEMBL23250535 0.70 ESR1 (0.77) TSHRALDH1A1LMNAMAPK1ESR1
SCHEMBL20695635 0.70 TSHR (0.73) TSHRALDH1A1LMNAMAPK1KDM4E
SCHEMBL20695622 0.70 TSHR (0.73) TSHRALDH1A1LMNAMAPK1KDM4E
SCHEMBL20695609 0.70 TSHR (0.73) TSHRALDH1A1LMNAMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609677-B2 Molecules for the photodynamic treatment of tumors and hyperplasias Yagna Limited (GB) 2013-12-17 US disclosed
US-20130226136-A1 Molecules for the Photodynamic Treatment of Tumors and Hyperplasias HUMANITARIAN SCIENTIFIC LLC 2013-08-29 US disclosed
US-8410125-B2 Sulfonated precursors of thymidine for the treatment of epithelial hyperplasias Yagna Limited (GB) 2013-04-02 US disclosed
US-20110053965-A1 SULFONATED PRECURSORS OF THYMIDINE FOR THE TREATMENT OF EPITHELIAL HYPERPLASIAS ASKLEPIUS LIMITED (GB) 2011-03-03 US disclosed
WO-2009060186-A1 SULFONATED PRECURSORS OF THYMIDINE FOR THE TREATMENT OF EPITHELIAL HYPERPLASIAS ASKLEPUIS LIMITED (GB) 2009-05-14 WO disclosed