SCHEMBL4445793

SCHEMBL4445793

Cc1ccc(S(=O)(=O)O/C(=C\C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CA2 P00918 4/20 0.34
CA1 P00915 3/20 0.34
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.30
MEN1 O00255 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
SCHEMBL13894711 1.00 ALDH1A1 (0.35) ALDH1A1CA2CA1KDM4ELMNA
SCHEMBL4445799 1.00 ALDH1A1 (0.35) ALDH1A1CA2CA1KDM4ELMNA
SCHEMBL5369470 0.76 CA1 (0.39) ALDH1A1CA2CA1LMNAGAA
SCHEMBL5365715 0.76 CA1 (0.39) ALDH1A1CA2CA1LMNAGAA
SCHEMBL3343193 0.74 ALDH1A1 (0.39) ALDH1A1CA2CA1LMNAGAA
SCHEMBL4445795 0.73 CA2 (0.34) ALDH1A1CA2CA1KDM4ELMNA
SCHEMBL9893501 0.72 CYP1A2 (0.43) ALDH1A1CA2CA1LMNAL3MBTL1
SCHEMBL6853749 0.71 ALDH1A1 (0.38) ALDH1A1CA2CA1LMNAMEN1
SCHEMBL6852562 0.71 ALDH1A1 (0.38) ALDH1A1CA2CA1LMNAMEN1
SCHEMBL10372497 0.70

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
WO-2009055628-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO claimed
WO-2009055628-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed