SCHEMBL23181545

SCHEMBL23181545

NCOC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.60
PTGS2 P35354 7/20 0.60
MGLL Q99685 8/20 0.55
FAAH O00519 5/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
HSP90AA1 P07900 1/20 0.55
TLR9 Q9NR96 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
XBP1 P17861 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GPR35 Q9HC97 1/20 0.55

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
SCHEMBL13338084 0.88 PTGS1 (0.66) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13447464 0.88 PTGS1 (0.66) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12021046 0.88 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15794826 0.85 PTGS1 (0.62) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14540366 0.85 PTGS1 (0.62) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5165588 0.84 PTGS1 (0.60) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL5165278 0.84 PTGS1 (0.60) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16847523 0.83 PTGS1 (0.64) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL2499154 0.83 PTGS1 (0.68) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL2111408 0.83 PTGS1 (0.58) PTGS1PTGS2MGLLFAAHALDH1A1

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-3797768-A1 MALEIMIDE-FUNCTIONALISED PLATINUM FOR USE IN THE TREATMENT OF CANCER Placon Therapeutics, Inc. (US) 2021-03-31 EP disclosed