SCHEMBL8649082

SCHEMBL8649082

CCOC(C)Oc1ccc([S+](c2ccccc2)c2ccc(OC(C)OCC)cc2)cc1.O=S(=O)([O-])CC(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.31
CNR2 P34972 2/20 0.30
ADAMTS4 O75173 1/20 0.30
MMP13 P45452 1/20 0.30
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8649489 0.95
SCHEMBL8649691 0.90 GRM2 (0.36) ADAMTS4MMP13L3MBTL1
SCHEMBL8322198 0.88 L3MBTL1 (0.33) DAGLACNR2LMNAL3MBTL1
SCHEMBL8643870 0.88 KDM4E (0.31) LMNA
SCHEMBL8649237 0.86 GRM2 (0.37) L3MBTL1
SCHEMBL8648234 0.85
SCHEMBL8644958 0.83 DAGLA (0.32) DAGLALMNAL3MBTL1
SCHEMBL8644969 0.82 GRM2 (0.36)
SCHEMBL494069 0.79 CA2 (0.37)
SCHEMBL8646729 0.79 CETP (0.33) CNR2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed