SCHEMBL9811491

SCHEMBL9811491

Cc1ccc(S(=O)(=O)C(O)(CO)C(=O)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36

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
SCHEMBL41373 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL6551368 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL12143762 0.75 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL1332603 0.73 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL3925162 0.70 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL31420199 0.70 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL28376606 0.70 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL27882439 0.70 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL5853798 0.70 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1CYP3A4CYP2C9
SCHEMBL12144534 0.70 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431122-A1 RADIATION-CURABLE BINDING AGENT SYSTEMS WITH ALPHA-SUBSTITUTED SULPHONYL COMPOUNDS AS PHOTO-ACTIVATORS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
WO-1991000312-A1 RADIATION-CURABLE BINDING AGENT SYSTEMS WITH ALPHA-SUBSTITUTED SULPHONYL COMPOUNDS AS PHOTO-ACTIVATORS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-01-10 WO disclosed