SCHEMBL8399062

SCHEMBL8399062

Cc1cc(C(=O)C2=C(O)CCCC2=O)c(C)c2c3c(ccc12)SCCS3

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8403537 0.78 HPD (0.32)
SCHEMBL8399136 0.77 ALDH1A1 (0.33)
SCHEMBL8399426 0.74 MAPT (0.31)
SCHEMBL8889486 0.71 MAPT (0.31)
SCHEMBL1271214 0.69 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL8558295 0.67
SCHEMBL8457958 0.65 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL12555943 0.62 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL14572089 0.61 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL12555942 0.60 SMN1; SMN2 (0.37) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885936-A BENZOTHIOPYRAN DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-23 US claimed
EP-0860441-A1 Herbicidal derivatives of 1,4-dithiino(2,3c)benzothiopyran E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-26 EP claimed
US-5885936-A BENZOTHIOPYRAN DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-23 US disclosed
EP-0860441-A1 Herbicidal derivatives of 1,4-dithiino(2,3c)benzothiopyran E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-26 EP disclosed