SCHEMBL19708967

SCHEMBL19708967

CC(C)C(C)NC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.49
PTGS2 P35354 7/20 0.49
MGLL Q99685 5/20 0.44
FAAH O00519 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR35 Q9HC97 1/20 0.44

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 0.91 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL30433145 0.91 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL19257599 0.86 PTGS1 (0.48) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL24383401 0.85 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL23652024 0.85 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL25748815 0.83 PTGS1 (0.50) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL25748817 0.83 PTGS1 (0.50) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL22267883 0.83 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL14962680 0.83 PTGS1 (0.53) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL18932354 0.83 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHSMN1; SMN2

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-2017214456-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed