SCHEMBL17895982

SCHEMBL17895982

CCn1c(COC2COC2)nc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL17896017 0.86 LMNA (0.34) LMNAKDM4EALDH1A1TSHR
SCHEMBL17896034 0.85 LMNA (0.35) LMNAKDM4EALDH1A1TSHR
SCHEMBL17896121 0.84 LMNA (0.34) LMNAKDM4EALDH1A1TSHR
SCHEMBL17895780 0.83 LMNA (0.34) LMNAKDM4EALDH1A1TSHR
SCHEMBL17896074 0.83 LMNA (0.32) LMNAKDM4EALDH1A1TSHR
SCHEMBL17895830 0.82 LMNA (0.32) LMNAKDM4EALDH1A1TSHR
SCHEMBL17895925 0.82 LMNA (0.33) LMNAKDM4EALDH1A1TSHR
SCHEMBL17896133 0.81 ALDH1A1 (0.36) LMNAKDM4EALDH1A1TSHR
SCHEMBL17896071 0.81 ALDH1A1 (0.34) LMNAKDM4EALDH1A1TSHR
SCHEMBL17896005 0.81 KDM4E (0.34) LMNAKDM4EALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO claimed
WO-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 — — WO disclosed
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