SCHEMBL8644649

SCHEMBL8644649

CC(C)(C)Oc1cccc(S(OS(=O)(=O)c2ccc(F)cc2)(c2ccccc2)c2cccc(OC(C)(C)C)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
RORC P51449 2/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PGR P06401 1/20 0.34
HSD11B1 P28845 1/20 0.34
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
KAT6A Q92794 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL8651563 0.96 PKM (0.35) FFAR1RORCPTGES2FFAR4MEN1
SCHEMBL3206111 0.91 KMT2A (0.36) FFAR1RORCFFAR4MEN1KMT2A
SCHEMBL6757964 0.89 HTT (0.41) FFAR1PTGES2MEN1KMT2AALDH1A1
SCHEMBL8078746 0.89 HTT (0.41) FFAR1PTGES2MEN1KMT2AALDH1A1
SCHEMBL6760272 0.85 PTGES2 (0.36) RORCPTGES2ALDH1A1SMN1; SMN2PGR
SCHEMBL3194025 0.84 FFAR1 (0.35) FFAR1RORCFFAR4MEN1KMT2A
SCHEMBL8077093 0.84 HTT (0.40) PTGES2FFAR4MEN1KMT2AALDH1A1
SCHEMBL8646184 0.84 ALDH1A1 (0.41) FFAR1RORCMEN1KMT2AALDH1A1
SCHEMBL3192154 0.83 KMT2A (0.34) FFAR1RORCFFAR4MEN1KMT2A
SCHEMBL3182174 0.83 KMT2A (0.34) FFAR1RORCFFAR4MEN1KMT2A

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