SCHEMBL20170916

SCHEMBL20170916

CN/C(=C\OC(C)N(C)C(=O)OC(C)(C)C)C(=O)CCCc1ccccc1O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.34
▸ IAPP P10997 1/20 0.31
▸ MPO P05164 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL20170918 0.81 IAPP (0.36) IAPPMPOSLC6A4
SCHEMBL9626599 0.74 MGLL (0.36) MMP13MPOSLC6A4AAK1
SCHEMBL7651312 0.66 HTR1A (0.47) SLC6A4
SCHEMBL3071452 0.65 MTNR1A (0.54) IAPPMPOSLC6A4
SCHEMBL24812914 0.64 CTSK (0.52) —
SCHEMBL30049273 0.64 CTSK (0.52) —
SCHEMBL29178324 0.64 CTSK (0.52) —
SCHEMBL2821947 0.64 CYP4F2 (0.47) IAPP
SCHEMBL8600783 0.64 NQO2 (0.52) MPOSLC6A4
SCHEMBL27770725 0.63 TDP1 (0.51) —

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
EP-2970334-B1 MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES BIOGEN MA INC (US) 2018-05-23 — — EP disclosed
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