SCHEMBL11615140

SCHEMBL11615140

CC(C(=O)O)c1ccc(N2C(=O)C3CCCCC3C2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 4/20 0.43
PTGS1 P23219 10/20 0.43
PTGS2 P35354 10/20 0.43
MT-CO1 P00395 1/20 0.43
MT-CO2 P00403 1/20 0.43
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
NFKB1 P19838 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL10038040 0.81 PPOX (0.43) PPOXMT-CO2KMT2AMEN1CYP2C19
SCHEMBL11615277 0.80 ALDH1A1 (0.51) PTGS1PTGS2MT-CO1MT-CO2HTT
SCHEMBL11611893 0.78 KMT2A (0.42) PPOXKMT2ALMNAMEN1
SCHEMBL6784295 0.74 SMN1; SMN2 (0.46) PTGS1PTGS2MT-CO1MT-CO2HTT
SCHEMBL6788699 0.70 CCNA2 (0.55) PTGS1PTGS2MT-CO1MT-CO2HTT
SCHEMBL6790452 0.69 CCNA2 (0.56) PTGS1PTGS2MT-CO1MT-CO2HTT
Mexoprofen SCHEMBL2111806 0.68 PTGS1 (0.47) PTGS1PTGS2MT-CO1MT-CO2HTT
Mexoprofen SCHEMBL11858696 0.68 PTGS1 (0.47) PTGS1PTGS2MT-CO1MT-CO2HTT
SCHEMBL6783378 0.68 LMNA (0.50) PTGS1PTGS2MT-CO1MT-CO2HTT
SCHEMBL6789700 0.68 PHGDH (0.42) PTGS1PTGS2MT-CO1MT-CO2HTT

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
US-4116972-A ANTI-INFLAMMATORY 1-OXO-ISOINDOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION FUJI CHEMICAL INDUSTRY COMPANY LIMITED (JP) 1978-09-26 US disclosed