SCHEMBL1593372

SCHEMBL1593372

O=S(=O)(OS(c1ccccc1)(c1cccc2ccccc12)c1cccc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTR6 P50406 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 1/20 0.36
RECQL P46063 1/20 0.35
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
SCN3A Q9NY46 2/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL270056 0.96 RORA (0.40) RORARORCNR1H2NR1H4CA1
SCHEMBL3680642 0.94 RORA (0.40) RORARORCNR1H2NR1H4CA1
SCHEMBL3139801 0.92 RORA (0.39) RORARORCNR1H2NR1H4CA1
SCHEMBL3127145 0.92 RORA (0.39) RORARORCNR1H2NR1H4CA1
SCHEMBL36035 0.88 CA1 (0.45) RORARORCNR1H2NR1H4CA1
SCHEMBL17420159 0.86 RORA (0.41) RORARORCNR1H2NR1H4CA1
SCHEMBL547977 0.85 CA1 (0.45) RORARORCNR1H2NR1H4CA1
SCHEMBL965951 0.83 CA1 (0.39) NR1H2CA1CA2HTR6MEN1
SCHEMBL66198 0.80 CA1 (0.49) RORARORCNR1H2NR1H4CA1
SCHEMBL51400 0.78 CA1 (0.43) NR1H2CA1CA2HTR6HSD11B1

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-20110091818-A1 PROCESS FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 US disclosed
US-20100273113-A1 PROCESS FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-28 US disclosed
US-20100273112-A1 PROCESS FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-28 US disclosed