SCHEMBL1040112

SCHEMBL1040112

CCC(CC)(C(N)=O)N(c1ccccc1OC)S(=O)(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
ESR1 P03372 1/20 0.41
HPGD P15428 1/20 0.39
HCRTR2 O43614 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KLK7 P49862 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL28293338 0.77 PTGER1 (0.43) PTGER1ESR1HPGDPOLBALDH1A1
SCHEMBL1038228 0.74 HCRTR2 (0.65) PTGER1ESR1HCRTR2L3MBTL1ALDH1A1
SCHEMBL1039606 0.73 TSHR (0.56) PTGER1ESR1HPGDTSHRALDH1A1
SCHEMBL8337800 0.71 PTGER1 (0.62) PTGER1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL12956317 0.68 TEAD1 (0.58) PTGER1ESR1HCRTR2POLBALDH1A1
SCHEMBL1040792 0.68 TEAD1 (0.58) PTGER1HCRTR2TSHRALDH1A1MEN1
SCHEMBL27887722 0.64 HCRTR2 (0.43) ESR1HCRTR2POLBL3MBTL1ALDH1A1
SCHEMBL24109992 0.64 PTGER1 (0.39) PTGER1HCRTR2TSHRALDH1A1MEN1
SCHEMBL4286533 0.63 ESR1 (0.48) ESR1POLBTSHRALDH1A1MEN1
SCHEMBL14676795 0.63 HCRTR2 (0.44) PTGER1ESR1HCRTR2POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP claimed