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Sugi Predict / Compounds / SCHEMBL20177905

SCHEMBL20177905

SCHEMBL20177905

CCOc1cc(F)c([C@@H]2CN/C(=N\OCCOS(=O)(=O)CC)[C@H]2NC(=O)OCc2ccc(OC)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 17/20 0.42
▸ FPR1 P21462 15/20 0.40
▸ NAAA Q02083 1/20 0.38
▸ ASAH1 Q13510 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ KCNQ2 O43526 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
SCHEMBL20177581 0.93 FPR2 (0.40) FPR2FPR1NAAAASAH1PKM
SCHEMBL20177727 0.92 FPR2 (0.39) FPR2FPR1NAAAASAH1PKM
SCHEMBL20177815 0.92 FPR2 (0.39) FPR2FPR1NAAAASAH1PKM
SCHEMBL20177506 0.91 FPR2 (0.44) FPR2FPR1NAAAASAH1CYP3A4
SCHEMBL20177513 0.85 FPR1 (0.37) FPR2FPR1NAAAASAH1PKM
SCHEMBL20177748 0.85 PKM (0.37) FPR2FPR1NAAAASAH1PKM
SCHEMBL20177554 0.84 FPR2 (0.46) FPR2FPR1CYP3A4KCNQ2
SCHEMBL20177684 0.83 FPR2 (0.43) FPR2FPR1NAAAASAH1PKM
SCHEMBL20177941 0.82 FPR1 (0.43) FPR2FPR1NAAAASAH1PKM
SCHEMBL20177655 0.82 FPR2 (0.61) FPR2FPR1NAAAASAH1CYP3A4

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