SCHEMBL668642

SCHEMBL668642

CS(=O)(=O)C(=Cc1ccccc1)COC=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 2/20 0.38
PTGS2 P35354 2/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
CMA1 P23946 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL622104 0.79 MEN1 (0.38) ALDH1A1TSHRMEN1KMT2AAKR1C3
SCHEMBL622103 0.79 MEN1 (0.38) ALDH1A1TSHRMEN1KMT2AAKR1C3
SCHEMBL13434047 0.79 MEN1 (0.45) ALDH1A1TSHRMEN1KMT2AAKR1C3
SCHEMBL20546494 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AAKR1C3PTGS2
SCHEMBL20546495 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AAKR1C3PTGS2
SCHEMBL9178174 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AAKR1C3PTGS2
SCHEMBL9178170 0.78 MEN1 (0.44) ALDH1A1MEN1KMT2AAKR1C3PTGS2
SCHEMBL18316538 0.78 AKR1C3 (0.42) ALDH1A1TSHRMEN1KMT2AAKR1C3
SCHEMBL9180016 0.78 AKR1C3 (0.42) ALDH1A1TSHRMEN1KMT2AAKR1C3
SCHEMBL18316537 0.78 AKR1C3 (0.42) ALDH1A1TSHRMEN1KMT2AAKR1C3

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-2606060-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM Corporation (US) 2013-06-26 EP disclosed
WO-2012024224-A1 WATER SOLUBLE SOLID PHASE PEPTIDE SYNTHESIS CEM CORPORATION (US) 2012-02-23 WO disclosed