SCHEMBL17896048

SCHEMBL17896048

COCCCn1ncc2c1CCCc1c-2[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ HTT P42858 2/20 0.30
▸ PKM P14618 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
SCHEMBL17896107 0.94 USP2 (0.34) USP2ALDH1A1MAPTMEN1KMT2A
SCHEMBL17895841 0.88 ELANE (0.32) ELANESPR
SCHEMBL17896061 0.88 ALDH1A1 (0.37) ALDH1A1ELANEKDM4ESPR
SCHEMBL17895886 0.87 ELANE (0.34) USP2MAPTLMNAELANEL3MBTL1
SCHEMBL17901948 0.87 KDM4E (0.33) USP2ALDH1A1MAPTLMNAELANE
Hydrochloric Acid SCHEMBL17896128 0.87 ALDH1A1 (0.37) ALDH1A1ELANEL3MBTL1KDM4ESPR
SCHEMBL17896114 0.85 HSD11B1 (0.36) USP2ALDH1A1MAPTLMNAHPGD
SCHEMBL17896093 0.85 ALDH1A1 (0.38) ALDH1A1MAPTLMNAELANEKDM4E
SCHEMBL17895850 0.84 KDM4E (0.35) MAPTLMNAELANEKDM4ESPR
Hydrochloric Acid SCHEMBL17896096 0.84 ALDH1A1 (0.37) ALDH1A1ELANEKDM4ESPR

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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