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SCHEMBL6681183

SCHEMBL6681183

CCNc1ccc(S(=O)(=O)c2ccc(CCNC(C(=O)OC(C)(C)C)[C@H](OC3CCCCO3)c3cccc(Cl)c3)cc2)cc1C(=O)OCC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ADRB3 P13945 4/20 0.31
▸ ADRB1 P08588 2/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ IDH2 P48735 1/20 0.30

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
SCHEMBL6677604 0.95 PTGER4 (0.32) PTGER4TP53POLBCA2ADRB3
SCHEMBL6677114 0.92 CA2 (0.33) PTGER4TP53POLBCA2ADRB3
SCHEMBL6676709 0.90 MEN1 (0.32) PTGER4TP53POLBCA2ADRB3
SCHEMBL6679724 0.89 PTGER4 (0.32) PTGER4CA2ADRB3ADRB1IDH2
SCHEMBL6681055 0.88 PTGER4 (0.35) PTGER4CA2ADRB3ADRB1
SCHEMBL6680690 0.86 PTGER4 (0.36) PTGER4CA2ADRB3ADRB1
SCHEMBL6804860 0.85 PTGER4 (0.33) PTGER4TP53POLBADRB3IDH2
SCHEMBL6804852 0.85 PTGER4 (0.33) PTGER4TP53POLBADRB3IDH2
SCHEMBL6677699 0.84 ADRB3 (0.37) CA2ADRB3ADRB1ADRB2
SCHEMBL6676570 0.81 PTGER4 (0.33) PTGER4TP53POLBADRB3

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
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 — — WO disclosed