SCHEMBL17901948

SCHEMBL17901948

CNCCCn1ncc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.33
▸ TSHR P16473 2/20 0.33
▸ PKM P14618 1/20 0.32
▸ IKBKB O14920 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ POLB P06746 2/20 0.31
▸ USP2 O75604 2/20 0.31
▸ ELANE P08246 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SPR P35270 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
SCHEMBL17895841 0.88 ELANE (0.32) ELANESPR
SCHEMBL17896061 0.88 ALDH1A1 (0.37) KDM4EALDH1A1ELANESPR
SCHEMBL17895886 0.87 ELANE (0.34) IKBKBUSP2ELANELMNAMAPT
SCHEMBL17896048 0.87 USP2 (0.33) KDM4ETSHRPKMALDH1A1POLB
Hydrochloric Acid SCHEMBL17896128 0.87 ALDH1A1 (0.37) KDM4EALDH1A1ELANESPR
SCHEMBL17896114 0.85 HSD11B1 (0.36) KDM4ETSHRPKMALDH1A1POLB
SCHEMBL17896093 0.85 ALDH1A1 (0.38) KDM4EIKBKBALDH1A1ELANELMNA
SCHEMBL17896107 0.85 USP2 (0.34) KDM4ETSHRPKMIKBKBALDH1A1
SCHEMBL17895850 0.84 KDM4E (0.35) KDM4ETSHRELANELMNAMAPT
Hydrochloric Acid SCHEMBL17896096 0.84 ALDH1A1 (0.37) KDM4EIKBKBALDH1A1ELANESPR

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