SCHEMBL2201234

SCHEMBL2201234

COc1cc(C)c(S(=O)(=O)O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.46
FFAR4 Q5NUL3 1/20 0.44
CYP3A4 P08684 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
POLB P06746 1/20 0.38
CYTH2 Q99418 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL10498033 0.98 RAPGEF4 (0.44) RAPGEF4FFAR4CYP3A4HPGDALDH1A1
Hydrochloric Acid SCHEMBL2202510 0.98 RAPGEF4 (0.44) RAPGEF4FFAR4CYP3A4HPGDALDH1A1
Hydrochloric Acid SCHEMBL2205518 0.92 RAPGEF4 (0.41) RAPGEF4FFAR4CYP3A4HPGDALDH1A1
SCHEMBL2833625 0.82 RAPGEF4 (0.42) RAPGEF4FFAR4CYP3A4HPGDALDH1A1
SCHEMBL12355073 0.80 CYP1A2 (0.51) RAPGEF4FFAR4CYP3A4HPGDALDH1A1
SCHEMBL668651 0.78 ERN1 (0.53) CYP3A4ALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL152815 0.78 RAPGEF4 (0.46) RAPGEF4FFAR4CYP3A4HPGDALDH1A1
SCHEMBL113864 0.78 RAPGEF4 (0.46) RAPGEF4FFAR4CYP3A4HPGDALDH1A1
SCHEMBL3241201 0.78 RAPGEF4 (0.46) RAPGEF4FFAR4CYP3A4HPGDALDH1A1
SCHEMBL10498025 0.77 RAPGEF4 (0.49) RAPGEF4FFAR4CYP3A4HPGDALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018357-A1 AROMATIC POLYSULFONE, RESIN COMPOSITION, AND METHOD FOR PRODUCING AROMATIC POLYSULFONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-20140366285-A1 COLORING COMPOSITION FOR TEXTILE PRINTING, TEXTILE PRINTING METHOD AND FABRICS FUJIFILM CORPORATION (JP) 2014-12-18 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO disclosed