SCHEMBL16897356

SCHEMBL16897356

C=CC(=O)C1(S(=O)(=O)c2ccccc2)CCCC2(C1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
GAA P10253 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ITGB1 P05556 2/20 0.37
ITGA4 P13612 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MMP2 P08253 7/20 0.35
MMP9 P14780 3/20 0.35
MMP13 P45452 3/20 0.35
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
MMP8 P22894 2/20 0.35
MMP14 P50281 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ANPEP P15144 2/20 0.34
TSHR P16473 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
SCHEMBL27182598 0.70 GAA (0.55) GAAMCOLN3MAPTHTTKDM4E
SCHEMBL27182591 0.67 GAA (0.60) GAAMCOLN3MAPTHTTKDM4E
SCHEMBL2884788 0.67 GAA (0.55) GAAMCOLN3MAPTHTTKDM4E
SCHEMBL3392545 0.67 HTR7 (0.46) POLBGAAMCOLN3MAPTHTT
SCHEMBL27182526 0.66 GAA (0.58) GAAMCOLN3MAPTHTTKDM4E
SCHEMBL3936342 0.64 GAA (0.53) GAAMCOLN3MAPTHTTKDM4E
Urea SCHEMBL28572479 0.64 GAA (0.50) GAAMCOLN3MAPTHTTKDM4E
SCHEMBL9772270 0.63 GAA (0.53) GAAMCOLN3MAPTHTTKDM4E
SCHEMBL27183144 0.62 NPC1 (0.49) GAAMCOLN3MAPTHTTKDM4E
SCHEMBL5374534 0.61 POLB (0.35) POLBGAANPC1RAB9AALDH1A1

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
WO-2015104343-A1 NEW ANTIFIBRINOLYTIC COMPOUNDS PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2015-07-16 WO claimed
WO-2015104343-A1 NEW ANTIFIBRINOLYTIC COMPOUNDS PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2015-07-16 WO disclosed