SCHEMBL17490607

SCHEMBL17490607

O=C(CCS)NCCN1C(=O)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.42
▸ PTGS2 P35354 4/20 0.42
▸ MGLL Q99685 3/20 0.41
▸ FAAH O00519 2/20 0.41
▸ HDAC3 O15379 7/20 0.40
▸ HDAC4 P56524 7/20 0.40
▸ HDAC1 Q13547 7/20 0.40
▸ HDAC7 Q8WUI4 7/20 0.40
▸ HDAC2 Q92769 7/20 0.40
▸ HDAC10 Q969S8 7/20 0.40
▸ HDAC11 Q96DB2 7/20 0.40
▸ HDAC8 Q9BY41 7/20 0.40
▸ HDAC6 Q9UBN7 7/20 0.40
▸ HDAC9 Q9UKV0 7/20 0.40
▸ HDAC5 Q9UQL6 7/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39

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
SCHEMBL20471076 0.90 PTGS1 (0.44) PTGS1PTGS2MGLLFAAHHDAC3
SCHEMBL17953253 0.86 HDAC3 (0.45) PTGS1PTGS2MGLLFAAHHDAC3
SCHEMBL12731358 0.86 MGLL (0.43) PTGS1PTGS2MGLLFAAHHDAC3
SCHEMBL22016163 0.85 MGLL (0.53) PTGS1PTGS2MGLLFAAHHDAC3
SCHEMBL22422912 0.85 HDAC3 (0.53) PTGS1PTGS2MGLLFAAHHDAC3
SCHEMBL13650748 0.83 PTGS1 (0.54) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL16120761 0.83 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17860045 0.83 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL23760589 0.81 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL16096373 0.81 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHHSP90AA1

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-2016019340-A1 POLYOXAZOLINE ANTIBODY DRUG CONJUGATES SERINA THERAPEUTICS, INC. (US) 2016-02-04 — — WO disclosed
Send feedback