SCHEMBL8077232

SCHEMBL8077232

CC(C)(C)Oc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ELANE P08246 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
SCHEMBL8083692 0.95 CA12 (0.32)
SCHEMBL2903712 0.95 CA12 (0.32)
SCHEMBL8646194 0.91 HDAC6 (0.34) ALDH1A1
SCHEMBL8647720 0.91 HDAC6 (0.34) ALDH1A1
SCHEMBL8661201 0.85 ACACB (0.32) ACACB
SCHEMBL3206280 0.84 CA12 (0.31)
SCHEMBL8646179 0.84 MMP1 (0.40) MMP1MMP2MMP9MMP13ALDH1A1
SCHEMBL8651804 0.83 KAT6A (0.33)
SCHEMBL2895867 0.83 PKM (0.43) MMP1MMP2MMP9MMP13
SCHEMBL6760271 0.83 KAT6A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6106993-A HIGHLY SENSITIVE TO ACTINIC RADIATION SUCH AS DEEP-UV, ELECTRON BEAM AND X-RAY, CAN BE DEVELOPED WITH ALKALINE AQUEOUS SOLUTION TO FORM A PATTERN, AND IS THUS SUITABLE FOR USE IN A FINE PATTERNING TECHNIQUE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-22 US disclosed
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
US-5705702-A REACTING AN ARYL GRIGNARD REAGENT WITH THIONYL CHLORIDE, THEN WITH TRIORGANOSILYL SULFONATE OR TRIORGANOSILYLHALIDE SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-01-06 US disclosed