SCHEMBL7980045

SCHEMBL7980045

Cc1c(C(=O)O)ccc2c1[S+]([O-])CCC2=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
TSHR P16473 1/20 0.33

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
SCHEMBL10164854 0.71 SLC22A8 (0.49) SLC22A6SLC22A8TSHR
SCHEMBL15556851 0.69 SLC22A6 (0.43) SLC22A6SLC22A8
Cyclohexane SCHEMBL253627 0.67 CYP1A2 (0.50) TSHR
SCHEMBL7997428 0.67 KDM4E (0.38) SLC22A6SLC22A8TSHR
SCHEMBL7992005 0.66 CXCR2 (0.46) SLC22A6SLC22A8TSHR
SCHEMBL843489 0.65 CYP1A2 (0.48) SLC22A6SLC22A8TSHR
SCHEMBL31389208 0.64 CYP1A2 (0.58) TSHR
SCHEMBL128319 0.64 CYP1A2 (0.58) TSHR
SCHEMBL7992007 0.63 SLC22A6 (0.33) SLC22A6SLC22A8
SCHEMBL7997554 0.63 SLC22A6 (0.35) SLC22A6SLC22A8TSHR

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
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed