SCHEMBL6273161

SCHEMBL6273161

Cc1cc(S(=O)(=O)c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3cccc(F)c3)cc2)cc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
BCHE P06276 4/20 0.34
ADAMTS4 O75173 1/20 0.34
NR1H3 Q13133 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TAS2R14 Q9NYV8 3/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6273164 1.00 LTB4R (0.38) LTB4RLTB4R2MMP1MMP2MMP9
SCHEMBL6273312 0.94 CA12 (0.36) CA12CA1CA2CA4BCHE
SCHEMBL6273315 0.94 CA12 (0.36) CA12CA1CA2CA4BCHE
SCHEMBL6271776 0.94 FFAR4 (0.35) MMP13CA12CA1CA2CA4
SCHEMBL6271772 0.94 FFAR4 (0.35) MMP13CA12CA1CA2CA4
SCHEMBL6272447 0.91 ADRB3 (0.39) LTB4RLTB4R2ADRB1ADRB3NR1H3
SCHEMBL6272453 0.91 ADRB3 (0.39) LTB4RLTB4R2ADRB1ADRB3NR1H3
SCHEMBL6274396 0.85 LTB4R (0.37) LTB4RLTB4R2MMP1MMP2MMP9
SCHEMBL6274398 0.85 LTB4R (0.37) LTB4RLTB4R2MMP1MMP2MMP9
SCHEMBL6272946 0.85 NR1H3 (0.36) ADRB1ADRB3BCHENR1H3CRHBP

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-2005110981-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-11-24 WO disclosed