SCHEMBL20177941

SCHEMBL20177941

CCS(=O)(=O)OCCO/N=C1\NC[C@@H](c2ccc(Cl)cc2)[C@@H]1NC(=O)OCc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 8/20 0.43
FPR2 P25090 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
NAAA Q02083 3/20 0.38
REN P00797 2/20 0.38
ASAH1 Q13510 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL20177940 0.89 FPR1 (0.47) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177513 0.88 FPR1 (0.37) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177815 0.88 FPR2 (0.39) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177748 0.85 PKM (0.37) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177571 0.85 EDNRB (0.38) SMN1; SMN2PKMHTTNAAAASAH1
SCHEMBL20177581 0.84 FPR2 (0.40) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177727 0.83 FPR2 (0.39) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL20177905 0.82 FPR2 (0.42) FPR1FPR2SMN1; SMN2PKMHTT
SCHEMBL21173988 0.81 KCNQ2 (0.43) FPR1FPR2NAAAASAH1POLB
SCHEMBL29434414 0.81 KCNQ2 (0.43) FPR1FPR2NAAAASAH1POLB

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