SCHEMBL9615904

SCHEMBL9615904

CCC(C)c1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
TSHR P16473 1/20 0.38
MEP1B Q16820 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C19 P33261 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
LMNA P02545 3/20 0.35
CHRM1 P11229 2/20 0.35
ADRA1A P35348 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL9724989 1.00 RORC (0.39) RORCTSHRMEP1BALDH1A1CYP2C19
SCHEMBL15988245 0.88 ALDH1A1 (0.40) TSHRMEP1BALDH1A1CYP2C19RAPGEF4
SCHEMBL8971717 0.87 CA12 (0.42) MEP1BALDH1A1CYP2C19RAPGEF4L3MBTL1
SCHEMBL10771314 0.87 CA12 (0.42) MEP1BALDH1A1CYP2C19RAPGEF4L3MBTL1
SCHEMBL9614144 0.85 MEP1B (0.36) TSHRMEP1BALDH1A1CYP2C19RAPGEF4
SCHEMBL775799 0.85 MEP1B (0.36) TSHRMEP1BALDH1A1CYP2C19RAPGEF4
SCHEMBL9544567 0.85 RAPGEF4 (0.37) TSHRMEP1BALDH1A1CYP2C19RAPGEF4
SCHEMBL15988238 0.84 ALDH1A1 (0.35) TSHRMEP1BALDH1A1CYP2C19RAPGEF4
SCHEMBL15311992 0.83 PDE5A (0.37) TSHRMEP1BALDH1A1CYP2C19RAPGEF4
SCHEMBL143706 0.83 PDE5A (0.37) TSHRMEP1BALDH1A1CYP2C19RAPGEF4

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
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP claimed
JP-4175375-A None JP disclosed
JP-H04175375-A THERMOSETTING COMPOSITION NIPPON OIL & FATS CO LTD 1992-06-23 JP disclosed