SCHEMBL8319641

SCHEMBL8319641

CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCS(=O)(=O)[O-]

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
ABCB1 P08183 1/20 0.32
MMP2 P08253 3/20 0.32
MMP13 P45452 3/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
POLB P06746 1/20 0.32
NR3C2 P08235 1/20 0.32
KIF11 P52732 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MMP1 P03956 2/20 0.32
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
SCHEMBL8317869 0.92 PABPC1 (0.33) HTTLMNAALDH1A1CNR2KMT2A
SCHEMBL8320141 0.91 PPARA (0.33) HTTLMNAALDH1A1KMT2AMEN1
SCHEMBL8316981 0.91 PPARA (0.33) HTTLMNAALDH1A1KMT2AMEN1
SCHEMBL2900930 0.88 PPARA (0.37) HTTLMNAALDH1A1KMT2AMEN1
SCHEMBL8646729 0.88 CETP (0.33) ALDH1A1CNR2KMT2AABCB1MMP2
SCHEMBL8651814 0.88 CETP (0.33) ALDH1A1CNR2KMT2AABCB1MMP2
SCHEMBL8317614 0.87 PPARG (0.33) HTTLMNAMMP2MMP13PPARA
SCHEMBL2903862 0.87 PABPC1 (0.36) ALDH1A1MMP13PPARAPPARGCA12
Trifluoromethanesulfonic Acid SCHEMBL64048 0.87 GPR3 (0.37) CNR2PPARAKIF11
Trifluoromethanesulfonic Acid SCHEMBL63998 0.87 GPR3 (0.37) CNR2PPARAKIF11

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-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed