SCHEMBL30433145

SCHEMBL30433145

CC(C)[C@H](C)NC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.55
PTGS2 P35354 7/20 0.55
MGLL Q99685 5/20 0.50
FAAH O00519 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 2/20 0.50
HSP90AA1 P07900 1/20 0.50
TLR9 Q9NR96 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL18932194 1.00 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL23652024 0.94 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL19708967 0.91 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL17721377 0.88 PTGS1 (0.58) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL23506482 0.88 PTGS1 (0.41) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12965566 0.85 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL21697887 0.85 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL19514146 0.85 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15189321 0.85 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14660025 0.84 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
CN-116209476-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2023-06-02 CN disclosed