SCHEMBL17896114

SCHEMBL17896114

CCn1ncc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ SPR P35270 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL17895886 0.89 ELANE (0.34) LMNAELANESPRMAPTHTT
SCHEMBL17896093 0.87 ALDH1A1 (0.38) LMNAKDM4EALDH1A1ELANESPR
SCHEMBL17896107 0.87 USP2 (0.34) LMNAKDM4EALDH1A1TSHRPKM
SCHEMBL17895841 0.86 ELANE (0.32) ELANESPR
SCHEMBL17895850 0.86 KDM4E (0.35) LMNAKDM4ETSHRELANESPR
SCHEMBL17896061 0.86 ALDH1A1 (0.37) KDM4EALDH1A1ELANESPR
Hydrochloric Acid SCHEMBL17896096 0.86 ALDH1A1 (0.37) KDM4EALDH1A1ELANESPR
Hydrochloric Acid SCHEMBL17895964 0.85 KDM4E (0.35) LMNAKDM4EALDH1A1TSHRELANE
SCHEMBL17895839 0.85 PLK1 (0.47) LMNAKDM4EALDH1A1TSHRPKM
Hydrochloric Acid SCHEMBL17896128 0.85 ALDH1A1 (0.37) KDM4EALDH1A1ELANESPR

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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