SCHEMBL19201659

SCHEMBL19201659

CC(=O)CCCCCN1C(=N)C=CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.56
PTGS2 P35354 7/20 0.56
MGLL Q99685 7/20 0.50
FAAH O00519 5/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSP90AA1 P07900 1/20 0.50
TLR9 Q9NR96 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
XBP1 P17861 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL24637632 0.88 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL10173306 0.88 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL14968624 0.88 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL22237613 0.88 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL14524212 0.86 PTGS1 (0.67) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL10014802 0.81 MGLL (0.60) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL18515827 0.81 PTGS1 (0.56) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL24342103 0.74 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL23106270 0.74 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHMAPK1
SCHEMBL8197974 0.74 PTGS1 (0.70) PTGS1PTGS2MGLLFAAHMAPK1

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-2017132173-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed