SCHEMBL6676289

SCHEMBL6676289

O=C(O)c1cccc(Oc2cccc(S(=O)(=O)c3ccc(CCN(Cc4ccccc4)CC(O)c4cccc(Cl)c4)cc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.53
LPAR1 Q92633 2/20 0.49
LPAR5 Q9H1C0 1/20 0.49
ADRB1 P08588 9/20 0.48
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
AKR1C3 P42330 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
SCHEMBL6676293 1.00 ADRB3 (0.53) ADRB3LPAR1LPAR5ADRB1MEN1
SCHEMBL6677810 0.94 LPAR1 (0.56) ADRB3LPAR1LPAR5ADRB1MEN1
SCHEMBL6677806 0.94 LPAR1 (0.56) ADRB3LPAR1LPAR5ADRB1MEN1
SCHEMBL6801224 0.91 ADRB3 (0.43) ADRB3LPAR1LPAR5ADRB1MEN1
SCHEMBL6802138 0.90 ADRB3 (0.43) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6802133 0.90 ADRB3 (0.43) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6678311 0.90 ADRB3 (0.51) ADRB3LPAR1LPAR5ADRB1MEN1
SCHEMBL6675747 0.89 LPAR1 (0.42) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6675752 0.89 LPAR1 (0.42) ADRB3LPAR1LPAR5ADRB1
SCHEMBL6540722 0.89 LPAR1 (0.45) ADRB3LPAR1LPAR5ADRB1

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