SCHEMBL11116262

SCHEMBL11116262

CCc1cccc(N(CC)S(=O)(=O)O)c1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.38
NR3C1 P04150 3/20 0.38
PTPN1 P18031 2/20 0.36
ESR1 P03372 3/20 0.35
NPY2R P49146 1/20 0.33

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
SCHEMBL10655854 0.86 IDH1 (0.40) NR3C1ESR1
SCHEMBL10655590 0.85 PTPN1 (0.45) PTGER1PTPN1ESR1
SCHEMBL9822673 0.80 LMNA (0.42) PTGER1ESR1
SCHEMBL10658420 0.77 TEAD1 (0.38) NR3C1ESR1
SCHEMBL11000716 0.76 ESR1 (0.43) ESR1
SCHEMBL7057526 0.75 PTGER1 (0.44) PTGER1NR3C1ESR1
SCHEMBL5250861 0.75 TP53 (0.50)
SCHEMBL10988499 0.74 ESR1 (0.40) ESR1
SCHEMBL6309662 0.73 ESR1 (0.39) ESR1
SCHEMBL10608220 0.72 ESR1 (0.40) PTGER1ESR1

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
US-4447358-A FOR POLYAMIDE AND WOOL TEXTILE DYEING CIBA-GEIGY CORPORATION (US) 1984-05-08 US disclosed