SCHEMBL8644644

SCHEMBL8644644

CC(C)(C)Oc1cccc([S+](c2ccccc2)c2cccc(OC(C)(C)C)c2)c1.O=S(=O)([O-])c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
RORC P51449 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
IKBKB O14920 1/20 0.34
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
NR1I2 O75469 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NR3C1 P04150 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL8651559 0.96 PKM (0.35) FFAR1RORCFFAR4NPC1POLB
SCHEMBL3206101 0.91 NPC1 (0.36) FFAR1RORCFFAR4NPC1POLB
SCHEMBL8078742 0.89 HTT (0.41) FFAR1L3MBTL1TP53NPSR1NR3C1
SCHEMBL6757962 0.89 HTT (0.41) FFAR1L3MBTL1TP53NPSR1NR3C1
SCHEMBL6760271 0.86 KAT6A (0.33)
Trifluoromethanesulfonic Acid SCHEMBL6762567 0.86 GPR3 (0.35) NR3C1SLC22A12
SCHEMBL8317614 0.84 PPARG (0.33) MMP1MMP2MMP13
SCHEMBL8077088 0.84 HTT (0.40) FFAR1FFAR4L3MBTL1NPSR1
SCHEMBL3194018 0.83 FFAR1 (0.34) FFAR1RORCFFAR4NPC1POLB
SCHEMBL3182169 0.83 NPC1 (0.34) FFAR1RORCFFAR4NPC1POLB

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