SCHEMBL20177513

SCHEMBL20177513

CCS(=O)(=O)OCCO/N=C1\NC[C@@H](c2ccc(Cl)cc2F)[C@@H]1NC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 10/20 0.37
FPR2 P25090 9/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
NAAA Q02083 2/20 0.35
ASAH1 Q13510 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
KCNQ2 O43526 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL20177748 0.91 PKM (0.37) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177815 0.91 FPR2 (0.39) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177574 0.90 FPR1 (0.39) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177941 0.88 FPR1 (0.43) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177581 0.87 FPR2 (0.40) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177727 0.85 FPR2 (0.39) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177905 0.85 FPR2 (0.42) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177879 0.81 FPR2 (0.39) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177734 0.81 KCNQ2 (0.37) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177911 0.81 FPR2 (0.55) FPR1FPR2NAAAASAH1

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-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed