SCHEMBL8458053

SCHEMBL8458053

CC1=Cc2c(C)c(C(=O)O)cc(C)c2OS1(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
NOTUM Q6P988 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HMGB1 P09429 1/20 0.32
CXCL12 P48061 1/20 0.32
GPR35 Q9HC97 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29769767 0.62 KDM4E (0.48) KDM4ENOTUMMEN1KMT2ATDP1
SCHEMBL625521 0.62 KDM4E (0.48) KDM4ENOTUMMEN1KMT2ATDP1
SCHEMBL235710 0.61 KDM4E (0.54) KDM4ENOTUMMEN1KMT2ATDP1
SCHEMBL70135 0.61 KDM4E (0.54) KDM4ENOTUMMEN1KMT2ATDP1
SCHEMBL30442476 0.61 KDM4E (0.54) KDM4ENOTUMMEN1KMT2ATDP1
SCHEMBL6913078 0.61 KDM4E (0.47) KDM4ENOTUMMEN1KMT2ATDP1
SCHEMBL6915834 0.61 KDM4E (0.47) KDM4ENOTUMMEN1KMT2ATDP1
SCHEMBL6908680 0.61 KDM4E (0.47) KDM4ENOTUMMEN1KMT2ATDP1
SCHEMBL6913400 0.61 KDM4E (0.47) KDM4ENOTUMMEN1KMT2ATDP1
SCHEMBL6914572 0.61 KDM4E (0.47) KDM4ENOTUMMEN1KMT2ATDP1

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-0901485-A1 1,2-BENZOXATHIIN AND THIEPIN 2,2-DIOXIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-17 EP disclosed
WO-1997042185-A1 1,2-BENZOXATHIIN AND THIEPIN 2,2-DIOXIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-13 WO disclosed