SCHEMBL8191986

SCHEMBL8191986

Cc1cc(S(C)(=O)=O)ccc1C(=O)C1C(=O)C(C)CC(C)(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
LMNA P02545 1/20 0.32
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
KDM1A O60341 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
KMT2A Q03164 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
SCHEMBL9241310 0.87 LMNA (0.39) LMNAKMT2A
SCHEMBL10392939 0.84 HPD (0.39) LMNACNR1CNR2KMT2A
SCHEMBL7350614 0.78 BCAT2 (0.39) LMNA
SCHEMBL15482087 0.75 HPD (0.42) LMNAKMT2A
SCHEMBL9738609 0.73 HPD (0.36) RXRAKMT2A
SCHEMBL9241318 0.71 KMT2A (0.47) SMN1; SMN2TDP1KMT2A
SCHEMBL1573624 0.69 HTT (0.44) LMNASMN1; SMN2
SCHEMBL9134592 0.68 LMNA (0.41) LMNAKMT2A
SCHEMBL27891624 0.67 LMNA (0.49) LMNAKMT2A
SCHEMBL9300399 0.67 HPD (0.39) LMNARXRASMN1; SMN2KMT2A

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
EP-0880317-B1 STABLE HERBICIDAL COMPOSITIONS CONTAINING METAL CHELATES OF HERBICIDAL DIONE COMPOUNDS ZENECA LTD (GB) 2000-01-05 EP disclosed
US-5912207-A HEAT STABLE, CHEMICALLY STABLE HERBICIDES ZENECA LIMITED (GB) 1999-06-15 US disclosed
EP-0880317-A1 STABLE HERBICIDAL COMPOSITIONS CONTAINING METAL CHELATES OF HERBICIDAL DIONE COMPOUNDS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997027748-A1 STABLE HERBICIDAL COMPOSITIONS CONTAINING METAL CHELATES OF HERBICIDAL DIONE COMPOUNDS ZENECA LIMITED (GB) 1997-08-07 WO disclosed