SCHEMBL6997644

SCHEMBL6997644

O=C(O)C1CC2CCC(CS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)(C1)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
MMP1 P03956 2/20 0.36
MMP13 P45452 2/20 0.36
RORC P51449 4/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TAS2R14 Q9NYV8 4/20 0.33
HSD11B1 P28845 1/20 0.33
NOTUM Q6P988 1/20 0.33
MMP3 P08254 3/20 0.32
MMP8 P22894 2/20 0.32
CRBN Q96SW2 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
PTGS2 P35354 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL8077751 0.71 MMP3 (0.43) MMP1MMP13HDAC3HDAC1HDAC2
SCHEMBL7991333 0.64 MMP2 (0.40) MMP1MMP13MMP3MMP8MMP2
SCHEMBL7002033 0.62 MMP1 (0.55) MMP1MMP13MMP3MMP8MMP2
SCHEMBL7143052 0.62 MMP13 (0.45) MMP1MMP13MMP3MMP8MMP2
SCHEMBL7144631 0.61 MMP13 (0.44) MMP1MMP13RORCMMP3MMP8
SCHEMBL12570643 0.58 PTGS2 (0.58) MAPTPTGS2
SCHEMBL8652784 0.57 PTGS1 (0.59) MAPTPTGS2
SCHEMBL8652749 0.57 PTGS2 (0.59) PTGS2
SCHEMBL2636523 0.57 MAPT (0.70) MAPT
SCHEMBL10203496 0.57 MMP2 (0.63) HSD11B1MMP2MMP14

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
EP-1070069-B1 BICYCLIC HYDROXAMIC ACID DERIVATIVES PFIZER PROD INC (US) 2003-07-16 EP disclosed