SCHEMBL2202183

SCHEMBL2202183

CC(C)(C)OC(=O)N(CCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.51
BACE1 P56817 3/20 0.44
PTGES O14684 1/20 0.44
TGFBR1 P36897 1/20 0.43
LIMK2 P53671 5/20 0.43
ADRB3 P13945 3/20 0.43
HTR6 P50406 1/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL2197591 0.96 F2 (0.52) F2BACE1PTGESTGFBR1LIMK2
SCHEMBL15946028 0.77 HTR6 (0.50) PTGESLIMK2ADRB3HTR6ADRB2
SCHEMBL2196090 0.77 F2 (0.53) F2TGFBR1HTR6
SCHEMBL3132483 0.75 HTR6 (0.58) ADRB3HTR6
SCHEMBL3134261 0.74 ADRB3 (0.47) PTGESLIMK2ADRB3HTR6ADRB2
SCHEMBL4605486 0.72 HTR6 (0.52) ADRB3HTR6ADRB2ADRB1
SCHEMBL27840648 0.72 HTR6 (0.52) PTGESADRB3HTR6ADRB2ADRB1
SCHEMBL14020393 0.72 HTR6 (0.52) ADRB3HTR6ADRB2ADRB1
SCHEMBL4605482 0.72 HTR6 (0.52) ADRB3HTR6ADRB2ADRB1
SCHEMBL4793028 0.72 HTR6 (0.52) ADRB3HTR6ADRB2ADRB1

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-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO disclosed